3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one

C18H16O5 — CID 140843244

IUPAC3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
SMILESCOc1c(C)c(O)c(C)c2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C18H16O5/c1-9-13(19)10(2)17-12(16(9)22-3)14(20)15(21)18(23-17)11-7-5-4-6-8-11/h4-8,19,21H,1-3H3
InChIKeyICSJXBZVFKDAHT-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.50
Rot. Bonds2

About 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one

3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one (PubChem CID 140843244) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
PubChem CID140843244
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one
SMILESCOc1c(C)c(O)c(C)c2oc(-c3ccccc3)c(O)c(=O)c12
InChIInChI=1S/C18H16O5/c1-9-13(19)10(2)17-12(16(9)22-3)14(20)15(21)18(23-17)11-7-5-4-6-8-11/h4-8,19,21H,1-3H3
InChIKeyICSJXBZVFKDAHT-UHFFFAOYSA-N
XLogP3.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5,7-trihydroxy-6,8-dimethoxy-2-phenylchromen-4-one
CID 15290459
3,5,8-trihydroxy-6,7-dimethoxy-2-phenylchromen-4-one
CID 70253991
3-hydroxy-6,7,10-trimethoxy-2-phenylbenzo[h]chromen-4-one
CID 118735528
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
5,6,7-trimethoxy-4-methyl-3-phenylisochromen-1-one
CID 102581922
2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-8-methylchromen-4-one
CID 46913430
1-hydroxy-3-methoxy-2,4-dimethylxanthen-9-one
CID 86028059
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3,5,7,8-tetrahydroxy-6-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 626962
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449

Frequently Asked Questions

What is the IUPAC name of 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one?
The IUPAC name of 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one (CID 140843244) is 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one.
What is the SMILES notation for 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one?
The canonical SMILES for 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one is COc1c(C)c(O)c(C)c2oc(-c3ccccc3)c(O)c(=O)c12.
What is the InChIKey of 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one?
The InChIKey is ICSJXBZVFKDAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-9-13(19)10(2)17-12(16(9)22-3)14(20)15(21)18(23-17)11-7-5-4-6-8-11/h4-8,19,21H,1-3H3.
What are the key properties of 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one?
3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dihydroxy-5-methoxy-6,8-dimethyl-2-phenylchromen-4-one is sourced from PubChem (CID 140843244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).