2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one

C18H16O4 — CID 14146827

IUPAC2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(-c2cccc(O)c2)oc2ccccc2c1=O
InChIInChI=1S/C18H16O4/c1-11(2)21-18-16(20)14-8-3-4-9-15(14)22-17(18)12-6-5-7-13(19)10-12/h3-11,19H,1-2H3
InChIKeyIPPQWOZWHROVEV-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.95
Rot. Bonds3

About 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one

2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one (PubChem CID 14146827) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
PubChem CID14146827
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
SMILESCC(C)Oc1c(-c2cccc(O)c2)oc2ccccc2c1=O
InChIInChI=1S/C18H16O4/c1-11(2)21-18-16(20)14-8-3-4-9-15(14)22-17(18)12-6-5-7-13(19)10-12/h3-11,19H,1-2H3
InChIKeyIPPQWOZWHROVEV-UHFFFAOYSA-N
XLogP3.95
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-phenyl-3-propan-2-yloxychromen-4-one
CID 7746601
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-propan-2-yloxychromen-4-one
CID 139505486
5,7-dihydroxy-3-propan-2-yloxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 171457615
2-(3-fluorophenyl)-3-propan-2-ylchromen-4-one
CID 122542428
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082
2-(3,4-dimethoxyphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303437
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
2-(4-chlorophenyl)-3-(1-oxo-1-phenylpropan-2-yl)oxychromen-4-one
CID 3316849
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
2-(4-methylphenyl)-3-(1-morpholin-4-yl-1-oxopropan-2-yl)oxychromen-4-one
CID 46303053
2-(4-oxo-2-phenylchromen-3-yl)oxy-N-phenylbutanamide
CID 46302984
2-[2-(2-methoxyphenyl)-4-oxochromen-3-yl]oxypropanoic acid
CID 20983860

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
The IUPAC name of 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one (CID 14146827) is 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one.
What is the SMILES notation for 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
The canonical SMILES for 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one is CC(C)Oc1c(-c2cccc(O)c2)oc2ccccc2c1=O.
What is the InChIKey of 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
The InChIKey is IPPQWOZWHROVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11(2)21-18-16(20)14-8-3-4-9-15(14)22-17(18)12-6-5-7-13(19)10-12/h3-11,19H,1-2H3.
What are the key properties of 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one?
2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-3-propan-2-yloxychromen-4-one is sourced from PubChem (CID 14146827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).