3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one

C17H14O4 — CID 71733634

IUPAC3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
SMILESCOc1ccc(C)cc1-c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C17H14O4/c1-10-7-8-13(20-2)12(9-10)17-16(19)15(18)11-5-3-4-6-14(11)21-17/h3-9,19H,1-2H3
InChIKeyBBRXZQSIQCQPOT-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds2

About 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one

3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one (PubChem CID 71733634) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
PubChem CID71733634
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
SMILESCOc1ccc(C)cc1-c1oc2ccccc2c(=O)c1O
InChIInChI=1S/C17H14O4/c1-10-7-8-13(20-2)12(9-10)17-16(19)15(18)11-5-3-4-6-14(11)21-17/h3-9,19H,1-2H3
InChIKeyBBRXZQSIQCQPOT-UHFFFAOYSA-N
XLogP3.48
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-methoxy-2-(2-methoxyphenyl)chromen-4-one
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3-methoxy-2-(4-methylphenyl)chromen-4-one
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3,4-dihydroxy-1-methoxyxanthen-9-one
CID 86220474
[2-(2-methoxyphenyl)-4-oxochromen-3-yl] hydrogen carbonate
CID 67869250
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
3-hydroxy-8-methoxy-2-(4-methylphenyl)chromen-4-one
CID 13270924
3-hydroxy-2-phenylchromen-4-one;iron
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2-methylxanthen-9-one;xanthen-9-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one?
The IUPAC name of 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one (CID 71733634) is 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one.
What is the SMILES notation for 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one?
The canonical SMILES for 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one is COc1ccc(C)cc1-c1oc2ccccc2c(=O)c1O.
What is the InChIKey of 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one?
The InChIKey is BBRXZQSIQCQPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-7-8-13(20-2)12(9-10)17-16(19)15(18)11-5-3-4-6-14(11)21-17/h3-9,19H,1-2H3.
What are the key properties of 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one?
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one is sourced from PubChem (CID 71733634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).