(E)-5-chloro-2-phenylpent-3-en-2-ol

C11H13ClO — CID 13026738

IUPAC(E)-5-chloro-2-phenylpent-3-en-2-ol
SMILESCC(O)(/C=C/CCl)c1ccccc1
InChIInChI=1S/C11H13ClO/c1-11(13,8-5-9-12)10-6-3-2-4-7-10/h2-8,13H,9H2,1H3/b8-5+
InChIKeySIOCFAKLUOGGSL-VMPITWQZSA-N
MW196.68 g/mol
LogP2.69
Rot. Bonds3

About (E)-5-chloro-2-phenylpent-3-en-2-ol

(E)-5-chloro-2-phenylpent-3-en-2-ol (PubChem CID 13026738) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is (E)-5-chloro-2-phenylpent-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-chloro-2-phenylpent-3-en-2-ol
PubChem CID13026738
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name(E)-5-chloro-2-phenylpent-3-en-2-ol
SMILESCC(O)(/C=C/CCl)c1ccccc1
InChIInChI=1S/C11H13ClO/c1-11(13,8-5-9-12)10-6-3-2-4-7-10/h2-8,13H,9H2,1H3/b8-5+
InChIKeySIOCFAKLUOGGSL-VMPITWQZSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-5,5,5-trifluoro-2-phenylpent-3-en-2-ol
CID 169226625
4,4-bis(methylsulfanyl)-2-phenylbut-3-en-2-ol
CID 13465706
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
(E)-2-(4-chlorophenyl)oct-3-en-2-ol
CID 102280436
2-methyl-6-phenylhex-3-en-2-ol
CID 73102528
tert-butylbenzene;chloromethane;ethane
CID 91149652
(E)-5-methylsulfanyl-2-phenylpent-4-en-2-ol
CID 5363740
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
2-chloro-2-phenylpropan-1-ol
CID 21408065
(3R,4S)-4-(chloromethyl)-2-methyl-2-phenylhex-5-en-3-ol
CID 102467586
2-phenyldeca-3,4-dien-2-ol
CID 10988074

Frequently Asked Questions

What is the IUPAC name of (E)-5-chloro-2-phenylpent-3-en-2-ol?
The IUPAC name of (E)-5-chloro-2-phenylpent-3-en-2-ol (CID 13026738) is (E)-5-chloro-2-phenylpent-3-en-2-ol.
What is the SMILES notation for (E)-5-chloro-2-phenylpent-3-en-2-ol?
The canonical SMILES for (E)-5-chloro-2-phenylpent-3-en-2-ol is CC(O)(/C=C/CCl)c1ccccc1.
What is the InChIKey of (E)-5-chloro-2-phenylpent-3-en-2-ol?
The InChIKey is SIOCFAKLUOGGSL-VMPITWQZSA-N. The full InChI is InChI=1S/C11H13ClO/c1-11(13,8-5-9-12)10-6-3-2-4-7-10/h2-8,13H,9H2,1H3/b8-5+.
What are the key properties of (E)-5-chloro-2-phenylpent-3-en-2-ol?
(E)-5-chloro-2-phenylpent-3-en-2-ol has a molecular weight of 196.68 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-chloro-2-phenylpent-3-en-2-ol is sourced from PubChem (CID 13026738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).