(2S)-2-benzylbut-3-en-1-ol

C11H14O — CID 11084196

IUPAC(2S)-2-benzylbut-3-en-1-ol
SMILESC=C[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2/t10-/m1/s1
InChIKeyWVAVWYSKHNRWNU-SNVBAGLBSA-N
MW162.23 g/mol
LogP2.02
Rot. Bonds4

About (2S)-2-benzylbut-3-en-1-ol

(2S)-2-benzylbut-3-en-1-ol (PubChem CID 11084196) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is (2S)-2-benzylbut-3-en-1-ol.

Molecular Properties

Compound Name(2S)-2-benzylbut-3-en-1-ol
PubChem CID11084196
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name(2S)-2-benzylbut-3-en-1-ol
SMILESC=C[C@@H](CO)Cc1ccccc1
InChIInChI=1S/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2/t10-/m1/s1
InChIKeyWVAVWYSKHNRWNU-SNVBAGLBSA-N
XLogP2.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-benzylbut-3-en-1-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

(3R)-3-benzylpent-4-enoic acid
CID 124641906
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
(E)-2-benzyl-6-phenylhex-3-en-1-ol
CID 11529105
2-ethenyltetradecylbenzene
CID 173452613
[(2S)-2-(benzenesulfonylmethyl)but-3-enyl]benzene
CID 101036585
(3S)-3-amino-6-benzyl-2-methyloct-7-en-4-one
CID 10800411
3-benzylhexa-4,5-dien-1-ol
CID 132552069
triphenyl(1-phenylbut-3-en-2-yl)stannane
CID 67742477
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
(2R)-2-benzyl-3-(1,3-dithian-2-ylidene)propan-1-ol
CID 10378267
2-benzylbut-3-enoic acid;hydrochloride
CID 67865734
2-benzylbut-3-enoyl chloride
CID 11287032

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylbut-3-en-1-ol?
The IUPAC name of (2S)-2-benzylbut-3-en-1-ol (CID 11084196) is (2S)-2-benzylbut-3-en-1-ol.
What is the SMILES notation for (2S)-2-benzylbut-3-en-1-ol?
The canonical SMILES for (2S)-2-benzylbut-3-en-1-ol is C=C[C@@H](CO)Cc1ccccc1.
What is the InChIKey of (2S)-2-benzylbut-3-en-1-ol?
The InChIKey is WVAVWYSKHNRWNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h2-7,10,12H,1,8-9H2/t10-/m1/s1.
What are the key properties of (2S)-2-benzylbut-3-en-1-ol?
(2S)-2-benzylbut-3-en-1-ol has a molecular weight of 162.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylbut-3-en-1-ol is sourced from PubChem (CID 11084196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).