1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene

C14H12Cl2O — CID 61081166

IUPAC1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2O/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9,14H,1H3
InChIKeyJMTNYPAFRDPKOB-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.68
Rot. Bonds3

About 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene

1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene (PubChem CID 61081166) has the molecular formula C14H12Cl2O and a molecular weight of 267.16 g/mol. Its IUPAC name is 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
PubChem CID61081166
Molecular FormulaC14H12Cl2O
Molecular Weight267.16 g/mol
Exact Mass266.03
IUPAC Name1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(C(Cl)c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12Cl2O/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9,14H,1H3
InChIKeyJMTNYPAFRDPKOB-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[chloro-(3-chlorophenyl)methyl]-4-methoxybenzene
CID 63434425
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
CID 63443947
1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene
CID 57270189
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
(3,5-dichlorophenyl)-(4-methoxyphenyl)methanol
CID 61100898
2-(3-chlorophenyl)-3-(4-methoxyphenyl)propanamide
CID 155375375
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
1-[(1S)-1-(3-chlorophenyl)ethyl]-3-(4-methoxyphenyl)thiourea
CID 8629092
5-[chloro-(4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 55158103
2-(3-chlorophenyl)-2-(4-methoxyanilino)acetic acid
CID 60991192
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(4-methoxyphenyl)propan-2-amine
CID 81362729

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene (CID 61081166) is 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene is COc1ccc(C(Cl)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene?
The InChIKey is JMTNYPAFRDPKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2O/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9,14H,1H3.
What are the key properties of 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene?
1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene has a molecular weight of 267.16 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 61081166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).