2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one

C18H15ClO3 — CID 44589128

IUPAC2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one
SMILESC=CCc1cc(O)cc2c1OC(c1ccc(Cl)cc1)CC2=O
InChIInChI=1S/C18H15ClO3/c1-2-3-12-8-14(20)9-15-16(21)10-17(22-18(12)15)11-4-6-13(19)7-5-11/h2,4-9,17,20H,1,3,10H2
InChIKeyBCLGCYYTMYVNDF-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.48
Rot. Bonds3

About 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one

2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one (PubChem CID 44589128) has the molecular formula C18H15ClO3 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one
PubChem CID44589128
Molecular FormulaC18H15ClO3
Molecular Weight314.77 g/mol
Exact Mass314.07
IUPAC Name2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one
SMILESC=CCc1cc(O)cc2c1OC(c1ccc(Cl)cc1)CC2=O
InChIInChI=1S/C18H15ClO3/c1-2-3-12-8-14(20)9-15-16(21)10-17(22-18(12)15)11-4-6-13(19)7-5-11/h2,4-9,17,20H,1,3,10H2
InChIKeyBCLGCYYTMYVNDF-UHFFFAOYSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one (CID 44589128) is 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one is C=CCc1cc(O)cc2c1OC(c1ccc(Cl)cc1)CC2=O.
What is the InChIKey of 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one?
The InChIKey is BCLGCYYTMYVNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO3/c1-2-3-12-8-14(20)9-15-16(21)10-17(22-18(12)15)11-4-6-13(19)7-5-11/h2,4-9,17,20H,1,3,10H2.
What are the key properties of 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one?
2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one has a molecular weight of 314.77 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-hydroxy-8-prop-2-enyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 44589128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).