1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene

C19H14Cl2O — CID 141041687

IUPAC1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
SMILESCOc1cccc(-c2c(Cl)cccc2Cl)c1-c1ccccc1
InChIInChI=1S/C19H14Cl2O/c1-22-17-12-5-9-14(18(17)13-7-3-2-4-8-13)19-15(20)10-6-11-16(19)21/h2-12H,1H3
InChIKeyHLKIXDNQYLNCFY-UHFFFAOYSA-N
MW329.23 g/mol
LogP6.34
Rot. Bonds3

About 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene

1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene (PubChem CID 141041687) has the molecular formula C19H14Cl2O and a molecular weight of 329.23 g/mol. Its IUPAC name is 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
PubChem CID141041687
Molecular FormulaC19H14Cl2O
Molecular Weight329.23 g/mol
Exact Mass328.04
IUPAC Name1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene
SMILESCOc1cccc(-c2c(Cl)cccc2Cl)c1-c1ccccc1
InChIInChI=1S/C19H14Cl2O/c1-22-17-12-5-9-14(18(17)13-7-3-2-4-8-13)19-15(20)10-6-11-16(19)21/h2-12H,1H3
InChIKeyHLKIXDNQYLNCFY-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
2-(2-chlorophenyl)-1,3-dimethoxybenzene;phenylphosphane
CID 175553236
1-methoxy-2-phenyl-3-(trifluoromethoxy)benzene
CID 18770174
1-chloro-2-methoxybenzene
CID 13011
1-(chloromethoxy)-2,3-diphenylbenzene
CID 89147596
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
(3-methoxy-2-phenylphenoxy)methylidyne-oxo-λ5-phosphane
CID 141346597
bis(3-methoxy-2-phenylphenyl)methanone
CID 141103935
7-methoxy-2-methyl-3-phenylinden-1-one
CID 101034748
(3-methoxy-2-phenylphenyl) trifluoromethanesulfonate
CID 145126504
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene?
The IUPAC name of 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene (CID 141041687) is 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene is COc1cccc(-c2c(Cl)cccc2Cl)c1-c1ccccc1.
What is the InChIKey of 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene?
The InChIKey is HLKIXDNQYLNCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2O/c1-22-17-12-5-9-14(18(17)13-7-3-2-4-8-13)19-15(20)10-6-11-16(19)21/h2-12H,1H3.
What are the key properties of 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene?
1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene has a molecular weight of 329.23 g/mol, XLogP of 6.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(3-methoxy-2-phenylphenyl)benzene is sourced from PubChem (CID 141041687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).