1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol

C17H19ClO2 — CID 79700071

IUPAC1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
SMILESCOc1cc(C(O)CC(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-12(13-6-4-3-5-7-13)10-16(19)14-8-9-15(18)17(11-14)20-2/h3-9,11-12,16,19H,10H2,1-2H3
InChIKeyWOLRQQXOGUCOJM-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.58
Rot. Bonds5

About 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol

1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol (PubChem CID 79700071) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
PubChem CID79700071
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
SMILESCOc1cc(C(O)CC(C)c2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-12(13-6-4-3-5-7-13)10-16(19)14-8-9-15(18)17(11-14)20-2/h3-9,11-12,16,19H,10H2,1-2H3
InChIKeyWOLRQQXOGUCOJM-UHFFFAOYSA-N
XLogP4.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856
1-(4-chloro-3-methoxyphenyl)-2-phenylpropan-1-ol
CID 79697411
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
CID 105111101
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
4-(4-bromopentan-2-yl)-1-chloro-2-methoxybenzene
CID 79700193
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
1-(4-chloro-3-methoxyphenyl)-2-methylbutan-1-ol
CID 79699849
2-butan-2-ylsulfanyl-1-(4-chloro-3-methoxyphenyl)ethanol
CID 79699095
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
[(4-chloro-3-methoxyphenyl)-phenylmethyl]hydrazine
CID 105199196

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol (CID 79700071) is 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol is COc1cc(C(O)CC(C)c2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol?
The InChIKey is WOLRQQXOGUCOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-12(13-6-4-3-5-7-13)10-16(19)14-8-9-15(18)17(11-14)20-2/h3-9,11-12,16,19H,10H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol?
1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol is sourced from PubChem (CID 79700071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).