(2S,3R)-3-phenylhex-5-en-2-ol

C12H16O — CID 129363226

IUPAC(2S,3R)-3-phenylhex-5-en-2-ol
SMILESC=CC[C@H](c1ccccc1)[C@H](C)O
InChIInChI=1S/C12H16O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3/t10-,12-/m0/s1
InChIKeyGZHVHEZCHNQOAR-JQWIXIFHSA-N
MW176.26 g/mol
LogP2.73
Rot. Bonds4

About (2S,3R)-3-phenylhex-5-en-2-ol

(2S,3R)-3-phenylhex-5-en-2-ol (PubChem CID 129363226) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S,3R)-3-phenylhex-5-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-phenylhex-5-en-2-ol
PubChem CID129363226
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S,3R)-3-phenylhex-5-en-2-ol
SMILESC=CC[C@H](c1ccccc1)[C@H](C)O
InChIInChI=1S/C12H16O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3/t10-,12-/m0/s1
InChIKeyGZHVHEZCHNQOAR-JQWIXIFHSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(4S,5S)-5-phenylocta-1,7-dien-4-yl]benzene
CID 97429057
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(1-ethenyl-2-phenylpent-4-enyl)benzene
CID 175560840
(2S)-3-phenylpentan-2-ol
CID 45048673
3-phenylhexa-1,5-dien-2-ol
CID 173444348
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
5-phenylhept-1-en-4-amine
CID 115814558
(4S)-4-[(R)-hydroxy(phenyl)methyl]-2-methylhept-6-en-3-one
CID 101163130
bromobenzene;pent-4-en-2-ol
CID 145155051
N-(1,2-diphenylpent-4-enyl)benzamide
CID 2794125
(2-methyl-1-phenylpent-4-enyl) acetate
CID 171782588

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-phenylhex-5-en-2-ol?
The IUPAC name of (2S,3R)-3-phenylhex-5-en-2-ol (CID 129363226) is (2S,3R)-3-phenylhex-5-en-2-ol.
What is the SMILES notation for (2S,3R)-3-phenylhex-5-en-2-ol?
The canonical SMILES for (2S,3R)-3-phenylhex-5-en-2-ol is C=CC[C@H](c1ccccc1)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-phenylhex-5-en-2-ol?
The InChIKey is GZHVHEZCHNQOAR-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H16O/c1-3-7-12(10(2)13)11-8-5-4-6-9-11/h3-6,8-10,12-13H,1,7H2,2H3/t10-,12-/m0/s1.
What are the key properties of (2S,3R)-3-phenylhex-5-en-2-ol?
(2S,3R)-3-phenylhex-5-en-2-ol has a molecular weight of 176.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-phenylhex-5-en-2-ol is sourced from PubChem (CID 129363226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).