(E,4S)-4-phenylhex-1-ene-1,6-diol

C12H16O2 — CID 134423361

IUPAC(E,4S)-4-phenylhex-1-ene-1,6-diol
SMILESO/C=C/C[C@@H](CCO)c1ccccc1
InChIInChI=1S/C12H16O2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h1-6,9,12-14H,7-8,10H2/b9-4+/t12-/m0/s1
InChIKeyCIWOYLUKYYFKPV-KFRNIWOLSA-N
MW192.26 g/mol
LogP2.61
Rot. Bonds5

About (E,4S)-4-phenylhex-1-ene-1,6-diol

(E,4S)-4-phenylhex-1-ene-1,6-diol (PubChem CID 134423361) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (E,4S)-4-phenylhex-1-ene-1,6-diol.

Molecular Properties

Compound Name(E,4S)-4-phenylhex-1-ene-1,6-diol
PubChem CID134423361
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(E,4S)-4-phenylhex-1-ene-1,6-diol
SMILESO/C=C/C[C@@H](CCO)c1ccccc1
InChIInChI=1S/C12H16O2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h1-6,9,12-14H,7-8,10H2/b9-4+/t12-/m0/s1
InChIKeyCIWOYLUKYYFKPV-KFRNIWOLSA-N
XLogP2.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 102328934
(3R)-3-phenylhex-5-en-1-ol
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5-bromo-3-phenylpentan-1-ol
CID 66988261
3,6-diphenylhexan-1-ol
CID 54360227
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
3-phenylundecan-1-ol
CID 101150144
1-phenylpropane-1,3-diol
CID 572059
(3R)-5-(ethylamino)-3-phenylpentan-1-ol
CID 99992328
(4-hydroxy-1-phenylbut-3-enoxy)-oxophosphanium
CID 173458426
[(7Z,9Z)-2-methylundeca-7,9-dien-5-yl]benzene
CID 156727063
1-phenylpropane-1,3-diol;hydrobromide
CID 68975268
N-[(2R)-4-hydroxy-2-phenylbutyl]-N-methylbenzenesulfonamide
CID 124638191

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-phenylhex-1-ene-1,6-diol?
The IUPAC name of (E,4S)-4-phenylhex-1-ene-1,6-diol (CID 134423361) is (E,4S)-4-phenylhex-1-ene-1,6-diol.
What is the SMILES notation for (E,4S)-4-phenylhex-1-ene-1,6-diol?
The canonical SMILES for (E,4S)-4-phenylhex-1-ene-1,6-diol is O/C=C/C[C@@H](CCO)c1ccccc1.
What is the InChIKey of (E,4S)-4-phenylhex-1-ene-1,6-diol?
The InChIKey is CIWOYLUKYYFKPV-KFRNIWOLSA-N. The full InChI is InChI=1S/C12H16O2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h1-6,9,12-14H,7-8,10H2/b9-4+/t12-/m0/s1.
What are the key properties of (E,4S)-4-phenylhex-1-ene-1,6-diol?
(E,4S)-4-phenylhex-1-ene-1,6-diol has a molecular weight of 192.26 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-4-phenylhex-1-ene-1,6-diol is sourced from PubChem (CID 134423361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).