2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

C16H17ClO3 — CID 63016764

IUPAC2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO3/c1-19-14-4-3-5-15(20-2)16(14)13(18)10-11-6-8-12(17)9-7-11/h3-9,13,18H,10H2,1-2H3
InChIKeyABLJZJCYJBBMGC-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol

2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (PubChem CID 63016764) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
PubChem CID63016764
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
SMILESCOc1cccc(OC)c1C(O)Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClO3/c1-19-14-4-3-5-15(20-2)16(14)13(18)10-11-6-8-12(17)9-7-11/h3-9,13,18H,10H2,1-2H3
InChIKeyABLJZJCYJBBMGC-UHFFFAOYSA-N
XLogP3.63
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethoxyphenyl)-2-(4-ethylphenyl)ethanol
CID 114980746
1-(2,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 63018245
2-(3,4-dichlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 63045810
1-(2-amino-3-methoxyphenyl)-2-(4-chlorophenyl)ethanol
CID 107469515
2-(4-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82807893
2-(4-chlorophenyl)-1-(2,6-dichlorophenyl)ethanol
CID 63519306
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanol
CID 63018829
1-(2,6-dichlorophenyl)-2-(4-methoxyphenyl)ethanol
CID 63018440
1-chloro-4-[2-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543868
1-(2,6-dimethoxyphenyl)-2-(2-fluorophenyl)ethanol
CID 63018085
1-(2-chloro-6-methoxyphenyl)-2-(furan-3-yl)ethanol
CID 113456462

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol (CID 63016764) is 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is COc1cccc(OC)c1C(O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
The InChIKey is ABLJZJCYJBBMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-19-14-4-3-5-15(20-2)16(14)13(18)10-11-6-8-12(17)9-7-11/h3-9,13,18H,10H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol?
2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol has a molecular weight of 292.76 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(2,6-dimethoxyphenyl)ethanol is sourced from PubChem (CID 63016764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).