(E)-2-(4-chlorophenyl)oct-3-en-2-ol

C14H19ClO — CID 102280436

IUPAC(E)-2-(4-chlorophenyl)oct-3-en-2-ol
SMILESCCCC/C=C/C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO/c1-3-4-5-6-11-14(2,16)12-7-9-13(15)10-8-12/h6-11,16H,3-5H2,1-2H3/b11-6+
InChIKeyYSHIFQWYSICCDD-IZZDOVSWSA-N
MW238.76 g/mol
LogP4.29
Rot. Bonds5

About (E)-2-(4-chlorophenyl)oct-3-en-2-ol

(E)-2-(4-chlorophenyl)oct-3-en-2-ol (PubChem CID 102280436) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)oct-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)oct-3-en-2-ol
PubChem CID102280436
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name(E)-2-(4-chlorophenyl)oct-3-en-2-ol
SMILESCCCC/C=C/C(C)(O)c1ccc(Cl)cc1
InChIInChI=1S/C14H19ClO/c1-3-4-5-6-11-14(2,16)12-7-9-13(15)10-8-12/h6-11,16H,3-5H2,1-2H3/b11-6+
InChIKeyYSHIFQWYSICCDD-IZZDOVSWSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)pentan-2-ol
CID 23555553
(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol
CID 102280433
(E)-5-chloro-2-phenylpent-3-en-2-ol
CID 13026738
Se-(4-chlorophenyl) (E)-hept-2-eneselenoate
CID 10614263
(E)-1-(4-chlorophenyl)non-2-en-1-ol
CID 11184335
1,1-bis(4-chlorophenyl)-4-(dimethylamino)butan-1-ol
CID 52946911
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
1-amino-2-(4-chlorophenyl)propan-2-ol;hydrochloride
CID 17039441
4-(4-chlorophenyl)-2,4-dimethylpentan-2-ol
CID 12969771
1-chloro-4-[1-(4-chlorophenyl)-1-phenylpentyl]benzene
CID 57254584

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)oct-3-en-2-ol?
The IUPAC name of (E)-2-(4-chlorophenyl)oct-3-en-2-ol (CID 102280436) is (E)-2-(4-chlorophenyl)oct-3-en-2-ol.
What is the SMILES notation for (E)-2-(4-chlorophenyl)oct-3-en-2-ol?
The canonical SMILES for (E)-2-(4-chlorophenyl)oct-3-en-2-ol is CCCC/C=C/C(C)(O)c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)oct-3-en-2-ol?
The InChIKey is YSHIFQWYSICCDD-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H19ClO/c1-3-4-5-6-11-14(2,16)12-7-9-13(15)10-8-12/h6-11,16H,3-5H2,1-2H3/b11-6+.
What are the key properties of (E)-2-(4-chlorophenyl)oct-3-en-2-ol?
(E)-2-(4-chlorophenyl)oct-3-en-2-ol has a molecular weight of 238.76 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)oct-3-en-2-ol is sourced from PubChem (CID 102280436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).