5-chloro-2-phenylpent-1-en-3-ol

C11H13ClO — CID 121217106

IUPAC5-chloro-2-phenylpent-1-en-3-ol
SMILESC=C(c1ccccc1)C(O)CCCl
InChIInChI=1S/C11H13ClO/c1-9(11(13)7-8-12)10-5-3-2-4-6-10/h2-6,11,13H,1,7-8H2
InChIKeyBSRSLHKNLNPDKH-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.69
Rot. Bonds4

About 5-chloro-2-phenylpent-1-en-3-ol

5-chloro-2-phenylpent-1-en-3-ol (PubChem CID 121217106) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-chloro-2-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name5-chloro-2-phenylpent-1-en-3-ol
PubChem CID121217106
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name5-chloro-2-phenylpent-1-en-3-ol
SMILESC=C(c1ccccc1)C(O)CCCl
InChIInChI=1S/C11H13ClO/c1-9(11(13)7-8-12)10-5-3-2-4-6-10/h2-6,11,13H,1,7-8H2
InChIKeyBSRSLHKNLNPDKH-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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'}

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Related Compounds

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1,2-diphenylprop-2-en-1-ol
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1-(furan-2-yl)-3-hydroxy-4-phenylpent-4-en-1-one
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3-chloro-1-phenoxypropan-1-ol
CID 154138508
5-chlorohept-1-en-2-ylbenzene
CID 66808379
(1-chloro-5-methylhex-5-en-3-yl)benzene
CID 91565278
ethyl 4-chloro-2-(1-phenylethenylamino)butanoate
CID 170085291
N-ethyl-3-phenylbut-3-en-2-amine
CID 11480759
3-hydroperoxypent-1-en-2-ylbenzene
CID 155931439
(1S)-1-(2,4-dichlorophenyl)-2-phenylprop-2-en-1-ol
CID 129362559

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenylpent-1-en-3-ol?
The IUPAC name of 5-chloro-2-phenylpent-1-en-3-ol (CID 121217106) is 5-chloro-2-phenylpent-1-en-3-ol.
What is the SMILES notation for 5-chloro-2-phenylpent-1-en-3-ol?
The canonical SMILES for 5-chloro-2-phenylpent-1-en-3-ol is C=C(c1ccccc1)C(O)CCCl.
What is the InChIKey of 5-chloro-2-phenylpent-1-en-3-ol?
The InChIKey is BSRSLHKNLNPDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-9(11(13)7-8-12)10-5-3-2-4-6-10/h2-6,11,13H,1,7-8H2.
What are the key properties of 5-chloro-2-phenylpent-1-en-3-ol?
5-chloro-2-phenylpent-1-en-3-ol has a molecular weight of 196.68 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenylpent-1-en-3-ol is sourced from PubChem (CID 121217106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).