1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol

C16H17ClO3 — CID 79697442

IUPAC1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C16H17ClO3/c1-19-13-5-3-4-11(8-13)9-15(18)12-6-7-14(17)16(10-12)20-2/h3-8,10,15,18H,9H2,1-2H3
InChIKeyACKLEPHKSCBKMV-UHFFFAOYSA-N
MW292.76 g/mol
LogP3.63
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol

1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol (PubChem CID 79697442) has the molecular formula C16H17ClO3 and a molecular weight of 292.76 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
PubChem CID79697442
Molecular FormulaC16H17ClO3
Molecular Weight292.76 g/mol
Exact Mass292.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)c2ccc(Cl)c(OC)c2)c1
InChIInChI=1S/C16H17ClO3/c1-19-13-5-3-4-11(8-13)9-15(18)12-6-7-14(17)16(10-12)20-2/h3-8,10,15,18H,9H2,1-2H3
InChIKeyACKLEPHKSCBKMV-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-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
1-(3-bromo-4-ethoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 104661137
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
1-(4-fluoro-3,5-dimethylphenyl)-2-(3-methoxyphenyl)ethanol
CID 65297136
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
2-bromo-4-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-chlorobenzene
CID 107993414
1-(5-bromo-2-chlorophenyl)-2-(3-methoxyphenyl)ethanol
CID 63018644
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
(4-chloro-3-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 79697124
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methoxyphenyl)ethanol
CID 61087862
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol (CID 79697442) is 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol is COc1cccc(CC(O)c2ccc(Cl)c(OC)c2)c1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol?
The InChIKey is ACKLEPHKSCBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO3/c1-19-13-5-3-4-11(8-13)9-15(18)12-6-7-14(17)16(10-12)20-2/h3-8,10,15,18H,9H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol?
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)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 1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 79697442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).