(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol

C17H21ClO — CID 102280433

IUPAC(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol
SMILESCC(O)(/C=C/CC1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClO/c1-17(19,15-9-11-16(18)12-10-15)13-5-8-14-6-3-2-4-7-14/h5-6,9-13,19H,2-4,7-8H2,1H3/b13-5+
InChIKeyJYAOQQFNHHYSHF-WLRTZDKTSA-N
MW276.81 g/mol
LogP4.99
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol

(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol (PubChem CID 102280433) has the molecular formula C17H21ClO and a molecular weight of 276.81 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol
PubChem CID102280433
Molecular FormulaC17H21ClO
Molecular Weight276.81 g/mol
Exact Mass276.13
IUPAC Name(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol
SMILESCC(O)(/C=C/CC1=CCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClO/c1-17(19,15-9-11-16(18)12-10-15)13-5-8-14-6-3-2-4-7-14/h5-6,9-13,19H,2-4,7-8H2,1H3/b13-5+
InChIKeyJYAOQQFNHHYSHF-WLRTZDKTSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol?
The IUPAC name of (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol (CID 102280433) is (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol?
The canonical SMILES for (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol is CC(O)(/C=C/CC1=CCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol?
The InChIKey is JYAOQQFNHHYSHF-WLRTZDKTSA-N. The full InChI is InChI=1S/C17H21ClO/c1-17(19,15-9-11-16(18)12-10-15)13-5-8-14-6-3-2-4-7-14/h5-6,9-13,19H,2-4,7-8H2,1H3/b13-5+.
What are the key properties of (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol?
(E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol has a molecular weight of 276.81 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-5-(cyclohexen-1-yl)pent-3-en-2-ol is sourced from PubChem (CID 102280433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).