4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol

C14H22OS — CID 79228749

IUPAC4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
SMILESCC(C)C(CCSc1ccccc1)C(C)O
InChIInChI=1S/C14H22OS/c1-11(2)14(12(3)15)9-10-16-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
InChIKeyVZIQGWIUQZXPFG-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.82
Rot. Bonds6

About 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol

4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol (PubChem CID 79228749) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
PubChem CID79228749
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
SMILESCC(C)C(CCSc1ccccc1)C(C)O
InChIInChI=1S/C14H22OS/c1-11(2)14(12(3)15)9-10-16-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3
InChIKeyVZIQGWIUQZXPFG-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-6-phenylsulfanylhexan-3-ol
CID 79228840
4-methyl-2-(2-phenylsulfanylethyl)pentan-1-ol
CID 79223402
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
4-methyl-6-phenylsulfanylhexan-3-one
CID 79228513
4-[4-[4-(3-hydroxybutylsulfanyl)phenyl]sulfanylphenyl]sulfanylbutan-2-ol
CID 162715294
(2S)-2-amino-4-phenylsulfanylbutan-1-ol
CID 57263408
3,3-dimethyl-2-(2-phenylsulfanylethyl)-N-propan-2-ylbutan-1-amine
CID 83139032
1-phenyl-3-phenylsulfanylpropan-1-amine
CID 132891646
4-(4-methylphenyl)sulfanylbutan-2-ol
CID 10352661
(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 94830631
2-(2-phenylsulfanylethyl)pentanoic acid
CID 79228431
2-(2-phenylsulfanylethylsulfanyl)propan-1-ol
CID 115882650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol?
The IUPAC name of 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol (CID 79228749) is 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol.
What is the SMILES notation for 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol?
The canonical SMILES for 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol is CC(C)C(CCSc1ccccc1)C(C)O.
What is the InChIKey of 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol?
The InChIKey is VZIQGWIUQZXPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-11(2)14(12(3)15)9-10-16-13-7-5-4-6-8-13/h4-8,11-12,14-15H,9-10H2,1-3H3.
What are the key properties of 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol?
4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol has a molecular weight of 238.40 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol is sourced from PubChem (CID 79228749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).