(2S)-1-phenylhex-5-en-2-ol

C12H16O — CID 102339258

IUPAC(2S)-1-phenylhex-5-en-2-ol
SMILESC=CCC[C@H](O)Cc1ccccc1
InChIInChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h2,4-8,12-13H,1,3,9-10H2/t12-/m0/s1
InChIKeyUPRVHILNDBBHRP-LBPRGKRZSA-N
MW176.26 g/mol
LogP2.56
Rot. Bonds5

About (2S)-1-phenylhex-5-en-2-ol

(2S)-1-phenylhex-5-en-2-ol (PubChem CID 102339258) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is (2S)-1-phenylhex-5-en-2-ol.

Molecular Properties

Compound Name(2S)-1-phenylhex-5-en-2-ol
PubChem CID102339258
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name(2S)-1-phenylhex-5-en-2-ol
SMILESC=CCC[C@H](O)Cc1ccccc1
InChIInChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h2,4-8,12-13H,1,3,9-10H2/t12-/m0/s1
InChIKeyUPRVHILNDBBHRP-LBPRGKRZSA-N
XLogP2.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.56
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

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(2R)-1-phenylpent-4-en-2-ol
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(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
(3-hydroxy-4-phenylbutyl)azanium chloride
CID 141211751
(2R,3R)-1-phenylhex-5-ene-2,3-diol
CID 15260077
(3S,4S)-3-phenylocta-1,7-dien-4-ol
CID 101442843
(2S,3R)-4-amino-2-(dibenzylamino)-1-phenyloct-7-en-3-ol
CID 69017314
(2S)-1-[benzyl-[(2-methylphenyl)methyl]amino]hex-5-en-2-ol
CID 93164977
(2S)-2-(hex-5-en-2-ylamino)-3-phenylpropan-1-ol
CID 102613780
1-phenylselanyloct-7-en-4-ol
CID 101105834
1-[benzyl(prop-2-enyl)amino]-3-phenylpropan-2-ol
CID 112818476

Frequently Asked Questions

What is the IUPAC name of (2S)-1-phenylhex-5-en-2-ol?
The IUPAC name of (2S)-1-phenylhex-5-en-2-ol (CID 102339258) is (2S)-1-phenylhex-5-en-2-ol.
What is the SMILES notation for (2S)-1-phenylhex-5-en-2-ol?
The canonical SMILES for (2S)-1-phenylhex-5-en-2-ol is C=CCC[C@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-1-phenylhex-5-en-2-ol?
The InChIKey is UPRVHILNDBBHRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H16O/c1-2-3-9-12(13)10-11-7-5-4-6-8-11/h2,4-8,12-13H,1,3,9-10H2/t12-/m0/s1.
What are the key properties of (2S)-1-phenylhex-5-en-2-ol?
(2S)-1-phenylhex-5-en-2-ol has a molecular weight of 176.26 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-phenylhex-5-en-2-ol is sourced from PubChem (CID 102339258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).