5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one

C16H14O4 — CID 91044701

IUPAC5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one
SMILESCC1C=CC(c2cc(=O)c3c(O)cc(O)cc3o2)=CC1
InChIInChI=1S/C16H14O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2,4-9,17-18H,3H2,1H3
InChIKeyAIHVLKDDYBCODO-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.18
Rot. Bonds1

About 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one

5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one (PubChem CID 91044701) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one
PubChem CID91044701
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one
SMILESCC1C=CC(c2cc(=O)c3c(O)cc(O)cc3o2)=CC1
InChIInChI=1S/C16H14O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2,4-9,17-18H,3H2,1H3
InChIKeyAIHVLKDDYBCODO-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 ≤ 500270.28
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
5,7-dihydroxy-2-(2,3,5,6-tetradeuterio-4-hydroxyphenyl)chromen-4-one
CID 172653209
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,7-dihydroxychromen-4-one
CID 25267158
5,6,7-trihydroxy-2-(4-oxocyclohexa-1,5-dien-1-yl)chromen-4-one
CID 87586678
bis(5,7-dihydroxy-2-phenylchromen-4-one);sulfuric acid
CID 174670813
[4-(5,7-dihydroxy-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504390
5,7-dihydroxy-2-[3-(4-hydroxyphenyl)phenyl]chromen-4-one
CID 155754085
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
2-(3-chlorophenyl)-5,7-dihydroxychromen-4-one
CID 5480905
2-(4,5-dihydroxycyclohexa-1,5-dien-1-yl)-3,5,7-trihydroxychromen-4-one
CID 89353439
5,7-dihydroxy-2-phenylchromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 69450862

Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one?
The IUPAC name of 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one (CID 91044701) is 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one is CC1C=CC(c2cc(=O)c3c(O)cc(O)cc3o2)=CC1.
What is the InChIKey of 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one?
The InChIKey is AIHVLKDDYBCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-9-2-4-10(5-3-9)14-8-13(19)16-12(18)6-11(17)7-15(16)20-14/h2,4-9,17-18H,3H2,1H3.
What are the key properties of 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one?
5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one has a molecular weight of 270.28 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 5,7-dihydroxy-2-(4-methylcyclohexa-1,5-dien-1-yl)chromen-4-one is sourced from PubChem (CID 91044701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).