2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene

C14H13ClO2 — CID 58270167

IUPAC2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClO2/c1-16-12-6-3-10(4-7-12)11-5-8-14(17-2)13(15)9-11/h3-9H,1-2H3
InChIKeyZRIQANAINIYTTP-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.02
Rot. Bonds3

About 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene

2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene (PubChem CID 58270167) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
PubChem CID58270167
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClO2/c1-16-12-6-3-10(4-7-12)11-5-8-14(17-2)13(15)9-11/h3-9H,1-2H3
InChIKeyZRIQANAINIYTTP-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
2-chloro-5-(3-chloro-4-methoxyphenyl)aniline
CID 62908744
5-(3-chloro-4-methoxyphenyl)-2-methylaniline
CID 54912520
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
1-[2-chloro-4-(3-chloro-4-methoxyphenyl)phenyl]ethanone
CID 82779649
2-(4-chlorophenyl)-6-methoxynaphthalene
CID 45156517
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
2-[3-chloro-4-(4-methoxyphenoxy)phenyl]furan
CID 168527146
4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-oxazole
CID 82128057

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene?
The IUPAC name of 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene (CID 58270167) is 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene.
What is the SMILES notation for 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene?
The canonical SMILES for 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene?
The InChIKey is ZRIQANAINIYTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-16-12-6-3-10(4-7-12)11-5-8-14(17-2)13(15)9-11/h3-9H,1-2H3.
What are the key properties of 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene?
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene has a molecular weight of 248.71 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene is sourced from PubChem (CID 58270167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).