1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol

C16H16Cl2O3 — CID 61081992

IUPAC1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16Cl2O3/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)11-4-5-12(17)13(18)9-11/h3-6,8-9,14,19H,7H2,1-2H3
InChIKeyLNBDPLJCUHPVEF-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.29
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol

1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol (PubChem CID 61081992) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
PubChem CID61081992
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C16H16Cl2O3/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)11-4-5-12(17)13(18)9-11/h3-6,8-9,14,19H,7H2,1-2H3
InChIKeyLNBDPLJCUHPVEF-UHFFFAOYSA-N
XLogP4.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107988738

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol (CID 61081992) is 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol is COc1ccc(CC(O)c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is LNBDPLJCUHPVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-20-15-6-3-10(8-16(15)21-2)7-14(19)11-4-5-12(17)13(18)9-11/h3-6,8-9,14,19H,7H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol?
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 327.21 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 61081992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).