2-(4-chlorophenyl)pent-4-ene-1,2-diol

C11H13ClO2 — CID 10512745

IUPAC2-(4-chlorophenyl)pent-4-ene-1,2-diol
SMILESC=CCC(O)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-2-7-11(14,8-13)9-3-5-10(12)6-4-9/h2-6,13-14H,1,7-8H2
InChIKeySUKTXUQSZIZZHZ-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.10
Rot. Bonds4

About 2-(4-chlorophenyl)pent-4-ene-1,2-diol

2-(4-chlorophenyl)pent-4-ene-1,2-diol (PubChem CID 10512745) has the molecular formula C11H13ClO2 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)pent-4-ene-1,2-diol.

Molecular Properties

Compound Name2-(4-chlorophenyl)pent-4-ene-1,2-diol
PubChem CID10512745
Molecular FormulaC11H13ClO2
Molecular Weight212.68 g/mol
Exact Mass212.06
IUPAC Name2-(4-chlorophenyl)pent-4-ene-1,2-diol
SMILESC=CCC(O)(CO)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO2/c1-2-7-11(14,8-13)9-3-5-10(12)6-4-9/h2-6,13-14H,1,7-8H2
InChIKeySUKTXUQSZIZZHZ-UHFFFAOYSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-(4-chlorophenyl)pent-4-ene-1,2-diol?
The IUPAC name of 2-(4-chlorophenyl)pent-4-ene-1,2-diol (CID 10512745) is 2-(4-chlorophenyl)pent-4-ene-1,2-diol.
What is the SMILES notation for 2-(4-chlorophenyl)pent-4-ene-1,2-diol?
The canonical SMILES for 2-(4-chlorophenyl)pent-4-ene-1,2-diol is C=CCC(O)(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)pent-4-ene-1,2-diol?
The InChIKey is SUKTXUQSZIZZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2/c1-2-7-11(14,8-13)9-3-5-10(12)6-4-9/h2-6,13-14H,1,7-8H2.
What are the key properties of 2-(4-chlorophenyl)pent-4-ene-1,2-diol?
2-(4-chlorophenyl)pent-4-ene-1,2-diol has a molecular weight of 212.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)pent-4-ene-1,2-diol is sourced from PubChem (CID 10512745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).