2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol

C17H19ClOS — CID 116543668

IUPAC2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClOS/c1-2-4-13-5-3-6-14(11-13)17(19)12-20-16-9-7-15(18)8-10-16/h3,5-11,17,19H,2,4,12H2,1H3
InChIKeyRUMHSZAINHKVKQ-UHFFFAOYSA-N
MW306.86 g/mol
LogP5.12
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol

2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol (PubChem CID 116543668) has the molecular formula C17H19ClOS and a molecular weight of 306.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol
PubChem CID116543668
Molecular FormulaC17H19ClOS
Molecular Weight306.86 g/mol
Exact Mass306.08
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol
SMILESCCCc1cccc(C(O)CSc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClOS/c1-2-4-13-5-3-6-14(11-13)17(19)12-20-16-9-7-15(18)8-10-16/h3,5-11,17,19H,2,4,12H2,1H3
InChIKeyRUMHSZAINHKVKQ-UHFFFAOYSA-N
XLogP5.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.86
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-fluorophenyl)-(3-propylphenyl)methanol
CID 116542736
[2-(4-methylphenyl)sulfanyl-1-(3-propylphenyl)ethyl]hydrazine
CID 105237001
2-(4-fluorophenyl)sulfanyl-1-(3-propylphenyl)ethanamine
CID 116544598
1-(4-chlorophenyl)sulfanylbutan-2-ol
CID 22247728
(5-chloro-2-methoxyphenyl)-(3-propylphenyl)methanol
CID 115838131
2-(2,3-difluorophenyl)-1-(3-propylphenyl)ethanol
CID 115838074
2-(4-bromophenyl)sulfanyl-1-(4-chlorophenyl)ethanol
CID 11843613
1-(4-aminophenyl)-2-(4-chlorophenyl)sulfanylethanol
CID 62265413
2-(4-chlorophenyl)sulfanyl-1-(2-methylphenyl)ethanol
CID 66145325
2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 60723599
2-phenoxy-1-(3-propylphenyl)ethanol
CID 116543555
1-(3-butylphenyl)butan-1-ol
CID 158563510

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol (CID 116543668) is 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol is CCCc1cccc(C(O)CSc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol?
The InChIKey is RUMHSZAINHKVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClOS/c1-2-4-13-5-3-6-14(11-13)17(19)12-20-16-9-7-15(18)8-10-16/h3,5-11,17,19H,2,4,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol?
2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol has a molecular weight of 306.86 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(3-propylphenyl)ethanol is sourced from PubChem (CID 116543668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).