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

C17H19ClO2 — CID 105111101

IUPAC1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
SMILESCOc1cc(C(O)CCCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-20-17-12-14(10-11-15(17)18)16(19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,19H,5,8-9H2,1H3
InChIKeyFGXBZTZPFHAMKH-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.40
Rot. Bonds6

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

1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol (PubChem CID 105111101) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
PubChem CID105111101
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol
SMILESCOc1cc(C(O)CCCc2ccccc2)ccc1Cl
InChIInChI=1S/C17H19ClO2/c1-20-17-12-14(10-11-15(17)18)16(19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,19H,5,8-9H2,1H3
InChIKeyFGXBZTZPFHAMKH-UHFFFAOYSA-N
XLogP4.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-chloro-3-methoxyphenyl)-4-phenylbutyl]hydrazine
CID 105320834
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
1-(4-chloro-3-methoxyphenyl)-3-phenoxypropan-1-ol
CID 79698805
1-(4-chloro-3-methoxyphenyl)octan-1-ol
CID 79697126
1-(4-chloro-3-methoxyphenyl)decan-1-ol
CID 115817958
3-amino-1-(4-chloro-3-methoxyphenyl)propan-1-ol
CID 84784431
1-(3,4-dimethylphenyl)-4-phenylbutan-1-ol
CID 65148452
1-(4-chloro-3-methoxyphenyl)-3-phenylbutan-1-ol
CID 79700071
1-(4-chloro-3-methoxyphenyl)-2-(3-methoxyphenyl)ethanol
CID 79697442
1-(2,6-dimethoxyphenyl)-4-phenylbutan-1-ol
CID 115791096
1-(3-chlorophenyl)-4-phenylbutan-1-ol
CID 55096467
1-(4-chloro-3-methoxyphenyl)-3-methylbutan-1-ol
CID 79699856

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol (CID 105111101) is 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol is COc1cc(C(O)CCCc2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol?
The InChIKey is FGXBZTZPFHAMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-20-17-12-14(10-11-15(17)18)16(19)9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-12,16,19H,5,8-9H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol?
1-(4-chloro-3-methoxyphenyl)-4-phenylbutan-1-ol has a molecular weight of 290.79 g/mol, XLogP of 4.40, 6 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)-4-phenylbutan-1-ol is sourced from PubChem (CID 105111101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).