1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene

C113H102Cl4FNO7 — CID 158132978

IUPAC1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene
SMILESCOc1ccc(-c2ccc(C)cc2)c(OC)c1.COc1ccc(-c2ccc(C)cc2)cc1F.COc1ccc(OC)c(-c2ccc(C)cc2)c1.Cc1ccc(-c2ccc(Cl)cc2)cc1.Cc1ccc(-c2ccc(Cl)cc2Cl)cc1.Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C17H14.2C15H16O2.C14H13FO.C13H10Cl2.2C13H11Cl.C13H11NO2/c1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-11-4-6-12(7-5-11)14-10-13(16-2)8-9-15(14)17-3;1-11-4-6-12(7-5-11)14-9-8-13(16-2)10-15(14)17-3;1-10-3-5-11(6-4-10)12-7-8-14(16-2)13(15)9-12;1-9-2-4-10(5-3-9)12-7-6-11(14)8-13(12)15;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-12H,1H3;2*4-10H,1-3H3;3-9H,1-2H3;2-8H,1H3;2*2-9H,1H3;2-9H,1H3
InChIKeyFSZVGNYNLYDDAW-UHFFFAOYSA-N
MW1746.87 g/mol
LogP33.15
Rot. Bonds14

About 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene

1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene (PubChem CID 158132978) has the molecular formula C113H102Cl4FNO7 and a molecular weight of 1746.87 g/mol. Its IUPAC name is 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene
PubChem CID158132978
Molecular FormulaC113H102Cl4FNO7
Molecular Weight1746.87 g/mol
Exact Mass1743.64
IUPAC Name1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene
SMILESCOc1ccc(-c2ccc(C)cc2)c(OC)c1.COc1ccc(-c2ccc(C)cc2)cc1F.COc1ccc(OC)c(-c2ccc(C)cc2)c1.Cc1ccc(-c2ccc(Cl)cc2)cc1.Cc1ccc(-c2ccc(Cl)cc2Cl)cc1.Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc(-c2ccccc2Cl)cc1
InChIInChI=1S/C17H14.2C15H16O2.C14H13FO.C13H10Cl2.2C13H11Cl.C13H11NO2/c1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-11-4-6-12(7-5-11)14-10-13(16-2)8-9-15(14)17-3;1-11-4-6-12(7-5-11)14-9-8-13(16-2)10-15(14)17-3;1-10-3-5-11(6-4-10)12-7-8-14(16-2)13(15)9-12;1-9-2-4-10(5-3-9)12-7-6-11(14)8-13(12)15;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-12H,1H3;2*4-10H,1-3H3;3-9H,1-2H3;2-8H,1H3;2*2-9H,1H3;2-9H,1H3
InChIKeyFSZVGNYNLYDDAW-UHFFFAOYSA-N
XLogP33.15
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001746.87
LogP ≤ 533.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene with MolForge

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Related Compounds

3-(4-chlorophenyl)-1,6-naphthyridine;3-(2,4-dimethoxyphenyl)-1,6-naphthyridine;3-(3,4-dimethoxyphenyl)-1,6-naphthyridine;ethyl 3-(1,6-naphthyridin-3-yl)benzoate;3-(2-methoxyphenyl)-1,6-naphthyridine;3-(2-methylphenyl)-1,6-naphthyridine;3-(4-methylphenyl)-1,6-naphthyridine;3-(3-nitrophenyl)-1,6-naphthyridine
CID 158116307
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
4-(2,4-dimethoxyphenyl)-2-(3-nitrophenyl)-1,3-thiazole
CID 60528720
1-(2,4-dimethoxyphenyl)-2-fluoronaphthalene
CID 130198538
2-[4-methoxy-3-(4-methylphenyl)phenoxy]-1,3-dimethyl-5-nitrobenzene
CID 102006812
2,6-bis(4-methoxyphenyl)-4-(3-nitrophenyl)pyrylium
CID 134912639
4-methoxy-2-(4-nitrophenoxy)-1-phenylbenzene
CID 155192060
4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
CID 15453442
2-(2-fluoro-4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 4879276
5-(5-chloro-2-methoxyphenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 936656

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene?
The IUPAC name of 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene (CID 158132978) is 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene.
What is the SMILES notation for 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene?
The canonical SMILES for 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene is COc1ccc(-c2ccc(C)cc2)c(OC)c1.COc1ccc(-c2ccc(C)cc2)cc1F.COc1ccc(OC)c(-c2ccc(C)cc2)c1.Cc1ccc(-c2ccc(Cl)cc2)cc1.Cc1ccc(-c2ccc(Cl)cc2Cl)cc1.Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc(-c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene?
The InChIKey is FSZVGNYNLYDDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14.2C15H16O2.C14H13FO.C13H10Cl2.2C13H11Cl.C13H11NO2/c1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-11-4-6-12(7-5-11)14-10-13(16-2)8-9-15(14)17-3;1-11-4-6-12(7-5-11)14-9-8-13(16-2)10-15(14)17-3;1-10-3-5-11(6-4-10)12-7-8-14(16-2)13(15)9-12;1-9-2-4-10(5-3-9)12-7-6-11(14)8-13(12)15;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14;1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-12H,1H3;2*4-10H,1-3H3;3-9H,1-2H3;2-8H,1H3;2*2-9H,1H3;2-9H,1H3.
What are the key properties of 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene?
1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene has a molecular weight of 1746.87 g/mol, XLogP of 33.15, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-methylphenyl)benzene;1-chloro-4-(4-methylphenyl)benzene;2,4-dichloro-1-(4-methylphenyl)benzene;1,4-dimethoxy-2-(4-methylphenyl)benzene;2,4-dimethoxy-1-(4-methylphenyl)benzene;2-fluoro-1-methoxy-4-(4-methylphenyl)benzene;1-(4-methylphenyl)naphthalene;1-(4-methylphenyl)-3-nitrobenzene is sourced from PubChem (CID 158132978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).