(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol

C14H18OS — CID 177445922

IUPAC(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol
SMILESC=C[C@@]1(Sc2ccccc2)C[C@@]1(C)[C@H](C)O
InChIInChI=1S/C14H18OS/c1-4-14(10-13(14,3)11(2)15)16-12-8-6-5-7-9-12/h4-9,11,15H,1,10H2,2-3H3/t11-,13-,14+/m0/s1
InChIKeyMEZAHUIZYJOUFG-FPMFFAJLSA-N
MW234.36 g/mol
LogP3.49
Rot. Bonds4

About (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol

(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol (PubChem CID 177445922) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol
PubChem CID177445922
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol
SMILESC=C[C@@]1(Sc2ccccc2)C[C@@]1(C)[C@H](C)O
InChIInChI=1S/C14H18OS/c1-4-14(10-13(14,3)11(2)15)16-12-8-6-5-7-9-12/h4-9,11,15H,1,10H2,2-3H3/t11-,13-,14+/m0/s1
InChIKeyMEZAHUIZYJOUFG-FPMFFAJLSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol 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-[1-methyl-2-[(E)-2-phenylsulfanylethenyl]cyclopropyl]ethanol
CID 10059941
(1-ethenylcyclobutyl)sulfanylbenzene
CID 15882644
S-phenyl (2S,3S)-3-hydroxy-2-methyl-3-(1-phenylsulfanylcyclopentyl)propanethioate
CID 11111514
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903
[1-[(E)-but-2-en-2-yl]cyclopropyl]sulfanylbenzene
CID 14968769
5-ethenyl-6-fluoro-6-methoxy-5-phenylsulfanylcyclohexa-1,3-diene
CID 142628606
[(1S)-1-methyl-2,2-diphenylcyclopropyl]methanediol
CID 162276045
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
cyclohexyl-(1-phenylsulfanylcyclopropyl)methanol
CID 15937221
(1-phenylsulfanyl-2-propan-2-ylcyclobutyl)sulfanylbenzene
CID 565452
1-ethenyl-4-(1-phenylsulfanylethyl)benzene
CID 70426639
(1S)-1-[(1S,2S)-1-methyl-2-[(1R)-1-phenylethyl]cyclopropyl]ethanol
CID 118556579

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol?
The IUPAC name of (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol (CID 177445922) is (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol.
What is the SMILES notation for (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol?
The canonical SMILES for (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol is C=C[C@@]1(Sc2ccccc2)C[C@@]1(C)[C@H](C)O.
What is the InChIKey of (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol?
The InChIKey is MEZAHUIZYJOUFG-FPMFFAJLSA-N. The full InChI is InChI=1S/C14H18OS/c1-4-14(10-13(14,3)11(2)15)16-12-8-6-5-7-9-12/h4-9,11,15H,1,10H2,2-3H3/t11-,13-,14+/m0/s1.
What are the key properties of (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol?
(1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol has a molecular weight of 234.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,2S)-2-ethenyl-1-methyl-2-phenylsulfanylcyclopropyl]ethanol is sourced from PubChem (CID 177445922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).