3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one

C22H16O3 — CID 11077963

IUPAC3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
SMILESO=c1c(C(O)c2ccccc2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C22H16O3/c23-20(15-9-3-1-4-10-15)19-21(24)17-13-7-8-14-18(17)25-22(19)16-11-5-2-6-12-16/h1-14,20,23H
InChIKeyPTNITUHAPVVPIP-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.54
Rot. Bonds3

About 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one

3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one (PubChem CID 11077963) has the molecular formula C22H16O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one.

Molecular Properties

Compound Name3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
PubChem CID11077963
Molecular FormulaC22H16O3
Molecular Weight328.37 g/mol
Exact Mass328.11
IUPAC Name3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
SMILESO=c1c(C(O)c2ccccc2)c(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C22H16O3/c23-20(15-9-3-1-4-10-15)19-21(24)17-13-7-8-14-18(17)25-22(19)16-11-5-2-6-12-16/h1-14,20,23H
InChIKeyPTNITUHAPVVPIP-UHFFFAOYSA-N
XLogP4.54
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one?
The IUPAC name of 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one (CID 11077963) is 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one.
What is the SMILES notation for 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one?
The canonical SMILES for 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one is O=c1c(C(O)c2ccccc2)c(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one?
The InChIKey is PTNITUHAPVVPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O3/c23-20(15-9-3-1-4-10-15)19-21(24)17-13-7-8-14-18(17)25-22(19)16-11-5-2-6-12-16/h1-14,20,23H.
What are the key properties of 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one?
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one has a molecular weight of 328.37 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one is sourced from PubChem (CID 11077963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).