5-(2-chlorophenyl)pent-3-en-1-ol

C11H13ClO — CID 123893185

IUPAC5-(2-chlorophenyl)pent-3-en-1-ol
SMILESOCCC=CCc1ccccc1Cl
InChIInChI=1S/C11H13ClO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-8,13H,5-6,9H2
InChIKeyMKEYNIJBTHAIRE-UHFFFAOYSA-N
MW196.68 g/mol
LogP2.82
Rot. Bonds4

About 5-(2-chlorophenyl)pent-3-en-1-ol

5-(2-chlorophenyl)pent-3-en-1-ol (PubChem CID 123893185) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 5-(2-chlorophenyl)pent-3-en-1-ol.

Molecular Properties

Compound Name5-(2-chlorophenyl)pent-3-en-1-ol
PubChem CID123893185
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name5-(2-chlorophenyl)pent-3-en-1-ol
SMILESOCCC=CCc1ccccc1Cl
InChIInChI=1S/C11H13ClO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-8,13H,5-6,9H2
InChIKeyMKEYNIJBTHAIRE-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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

(Z)-5-(2-methylphenyl)pent-3-en-1-ol
CID 117267923
(E)-4-(2-chlorophenyl)but-2-en-1-amine
CID 105439817
(Z)-5-(2-chlorophenyl)pent-3-enoic acid
CID 117267940
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
2-(2-chlorophenyl)-N-methylethanimine
CID 143112738
1-chloro-2-[(1Z,3E)-5-(2-chlorophenyl)-1-methoxypenta-1,3-dienyl]benzene
CID 164676364
(E)-5-(3-chloro-2-fluorophenyl)pent-3-en-1-amine
CID 102864119
N,N-bis[(2-chlorophenyl)methyl]hydroxylamine
CID 54059227
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
(2-chlorophenyl)methyl-(2-hydroxyethyl)azanium
CID 7018888
2-[butyl-[(2-chlorophenyl)methyl]amino]ethanol
CID 60689529

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)pent-3-en-1-ol?
The IUPAC name of 5-(2-chlorophenyl)pent-3-en-1-ol (CID 123893185) is 5-(2-chlorophenyl)pent-3-en-1-ol.
What is the SMILES notation for 5-(2-chlorophenyl)pent-3-en-1-ol?
The canonical SMILES for 5-(2-chlorophenyl)pent-3-en-1-ol is OCCC=CCc1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)pent-3-en-1-ol?
The InChIKey is MKEYNIJBTHAIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-8,13H,5-6,9H2.
What are the key properties of 5-(2-chlorophenyl)pent-3-en-1-ol?
5-(2-chlorophenyl)pent-3-en-1-ol has a molecular weight of 196.68 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)pent-3-en-1-ol is sourced from PubChem (CID 123893185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).