3,7-dihydroxy-8-methyl-2-phenylchromen-4-one

C16H12O4 — CID 178063464

IUPAC3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
SMILESCc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12
InChIInChI=1S/C16H12O4/c1-9-12(17)8-7-11-13(18)14(19)16(20-15(9)11)10-5-3-2-4-6-10/h2-8,17,19H,1H3
InChIKeyDKTJNERHXDRTJW-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.18
Rot. Bonds1

About 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one

3,7-dihydroxy-8-methyl-2-phenylchromen-4-one (PubChem CID 178063464) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
PubChem CID178063464
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
SMILESCc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12
InChIInChI=1S/C16H12O4/c1-9-12(17)8-7-11-13(18)14(19)16(20-15(9)11)10-5-3-2-4-6-10/h2-8,17,19H,1H3
InChIKeyDKTJNERHXDRTJW-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;hydrate
CID 121233655
3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
CID 140843244
2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
CID 58753788
3,5,7-trihydroxy-6,8-dimethoxy-2-phenylchromen-4-one
CID 15290459
3,6,7-trihydroxy-2-phenylchromen-4-one
CID 141151974
2-[4-(dimethylamino)phenyl]-3-hydroxybenzo[h]chromen-4-one
CID 2988186
3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991
7-hydroxy-3-methyl-2-phenyl-8-(piperidin-1-ylmethyl)chromen-4-one
CID 5361797
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
CID 118735528
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one?
The IUPAC name of 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one (CID 178063464) is 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one?
The canonical SMILES for 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one is Cc1c(O)ccc2c(=O)c(O)c(-c3ccccc3)oc12.
What is the InChIKey of 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one?
The InChIKey is DKTJNERHXDRTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-9-12(17)8-7-11-13(18)14(19)16(20-15(9)11)10-5-3-2-4-6-10/h2-8,17,19H,1H3.
What are the key properties of 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one?
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one has a molecular weight of 268.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-8-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 178063464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).