2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

C16H16Cl2O3 — CID 63045810

IUPAC2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O3/c1-20-14-4-3-5-15(21-2)16(14)13(19)9-10-6-7-11(17)12(18)8-10/h3-8,13,19H,9H2,1-2H3
InChIKeySIWTYBRVUVRWMW-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.29
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 63045810) has the molecular formula C16H16Cl2O3 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID63045810
Molecular FormulaC16H16Cl2O3
Molecular Weight327.21 g/mol
Exact Mass326.05
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2O3/c1-20-14-4-3-5-15(21-2)16(14)13(19)9-10-6-7-11(17)12(18)8-10/h3-8,13,19H,9H2,1-2H3
InChIKeySIWTYBRVUVRWMW-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

2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63016764
2-(3,4-dichlorophenyl)-1-(6-methoxy-2-pyridinyl)ethanol
CID 103347951
2-(2-amino-4-pyridinyl)-1-(2-chloro-6-methoxyphenyl)ethanol
CID 104817206
1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
2-(3,4-dichlorophenyl)-1-(3-methoxy-4-pyridinyl)ethanol
CID 105066235
2-(3,4-dichlorophenyl)-1-(6-methoxypyridazin-3-yl)ethanol
CID 103373604
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 113456462
1-(2-chloro-6-methoxyphenyl)-2-pyridin-2-ylethanol
CID 113456442
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (CID 63045810) is 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1C(O)Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is SIWTYBRVUVRWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2O3/c1-20-14-4-3-5-15(21-2)16(14)13(19)9-10-6-7-11(17)12(18)8-10/h3-8,13,19H,9H2,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
2-(3,4-dichlorophenyl)-1-(2,6-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 2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 63045810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).