6-methyl-6-phenylsulfanylhept-1-en-3-ol

C14H20OS — CID 11345390

IUPAC6-methyl-6-phenylsulfanylhept-1-en-3-ol
SMILESC=CC(O)CCC(C)(C)Sc1ccccc1
InChIInChI=1S/C14H20OS/c1-4-12(15)10-11-14(2,3)16-13-8-6-5-7-9-13/h4-9,12,15H,1,10-11H2,2-3H3
InChIKeyZJOAAMNRTWJERW-UHFFFAOYSA-N
MW236.38 g/mol
LogP3.88
Rot. Bonds6

About 6-methyl-6-phenylsulfanylhept-1-en-3-ol

6-methyl-6-phenylsulfanylhept-1-en-3-ol (PubChem CID 11345390) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is 6-methyl-6-phenylsulfanylhept-1-en-3-ol.

Molecular Properties

Compound Name6-methyl-6-phenylsulfanylhept-1-en-3-ol
PubChem CID11345390
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name6-methyl-6-phenylsulfanylhept-1-en-3-ol
SMILESC=CC(O)CCC(C)(C)Sc1ccccc1
InChIInChI=1S/C14H20OS/c1-4-12(15)10-11-14(2,3)16-13-8-6-5-7-9-13/h4-9,12,15H,1,10-11H2,2-3H3
InChIKeyZJOAAMNRTWJERW-UHFFFAOYSA-N
XLogP3.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-methyl-6-phenylsulfanylhept-1-en-3-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-(Phenylthio)-2-propanol
CID 99788
2-(Phenylsulfanyl)cyclohexanol
CID 278135
cis-(1R,2S)-2-phenylsulfanylcyclopentan-1-ol
CID 90662595
5-Phenylsulfanylpentan-1-ol
CID 346015
2-Butanol, 1-(phenylthio)-
CID 580222
(1S,4S)-3-(benzenesulfonyl)-4-methylcyclohept-2-en-1-ol
CID 10038565
4-(Phenylsulfanyl)-2-butanol
CID 11019506
(2E)-2-Methyl-4-(phenylthio)-2-buten-1-ol
CID 11159875
1-(Phenylsulfanyl)-2-octanol
CID 11276474
2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol
CID 373327
2-Phenylsulfanylcyclopentanol
CID 494482
3-Methyl-1-(phenylsulfanyl)butan-2-ol
CID 12562878

Frequently Asked Questions

What is the IUPAC name of 6-methyl-6-phenylsulfanylhept-1-en-3-ol?
The IUPAC name of 6-methyl-6-phenylsulfanylhept-1-en-3-ol (CID 11345390) is 6-methyl-6-phenylsulfanylhept-1-en-3-ol.
What is the SMILES notation for 6-methyl-6-phenylsulfanylhept-1-en-3-ol?
The canonical SMILES for 6-methyl-6-phenylsulfanylhept-1-en-3-ol is C=CC(O)CCC(C)(C)Sc1ccccc1.
What is the InChIKey of 6-methyl-6-phenylsulfanylhept-1-en-3-ol?
The InChIKey is ZJOAAMNRTWJERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-4-12(15)10-11-14(2,3)16-13-8-6-5-7-9-13/h4-9,12,15H,1,10-11H2,2-3H3.
What are the key properties of 6-methyl-6-phenylsulfanylhept-1-en-3-ol?
6-methyl-6-phenylsulfanylhept-1-en-3-ol has a molecular weight of 236.38 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-6-phenylsulfanylhept-1-en-3-ol is sourced from PubChem (CID 11345390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).