2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one

C16H14O3 — CID 10777318

IUPAC2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
SMILESCC1C(=O)c2ccccc2OC1c1ccc(O)cc1
InChIInChI=1S/C16H14O3/c1-10-15(18)13-4-2-3-5-14(13)19-16(10)11-6-8-12(17)9-7-11/h2-10,16-17H,1H3
InChIKeyYMJCRRDOPPAZGA-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.34
Rot. Bonds1

About 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one

2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one (PubChem CID 10777318) has the molecular formula C16H14O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
PubChem CID10777318
Molecular FormulaC16H14O3
Molecular Weight254.29 g/mol
Exact Mass254.09
IUPAC Name2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one
SMILESCC1C(=O)c2ccccc2OC1c1ccc(O)cc1
InChIInChI=1S/C16H14O3/c1-10-15(18)13-4-2-3-5-14(13)19-16(10)11-6-8-12(17)9-7-11/h2-10,16-17H,1H3
InChIKeyYMJCRRDOPPAZGA-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-3-methyl-2-phenyl-2,3-dihydrochromen-4-one
CID 12753183
(2R,3R)-2-hydroxy-3-methyl-2,3-dihydrochromen-4-one
CID 7177147
2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3-dihydrochromen-4-one
CID 12000017
3-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 14713900
2-ethenyl-3-methyl-2,3-dihydrochromen-4-one
CID 11008672
methyl 3-methyl-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 135026819
4-[(2R,3R)-3-hydroxy-4-oxo-2,3-dihydrochromen-2-yl]benzonitrile
CID 10635397
(2S,3S)-3-amino-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 94052387
(2S,3S)-3-hydroxy-2-(4-nitrophenyl)-2,3-dihydrochromen-4-one
CID 155544931
(2S,3R)-3-bromo-2-methyl-2,3-dihydrochromen-4-one
CID 15266075
(2R,3R)-2-(4-chlorophenyl)-3-phenyl-2,3-dihydrochromen-4-one
CID 25171057
[(2S,3R)-4-oxo-2-phenyl-2,3-dihydrochromen-3-yl]-propan-2-ylazanium
CID 7212963

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one (CID 10777318) is 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one is CC1C(=O)c2ccccc2OC1c1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one?
The InChIKey is YMJCRRDOPPAZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-10-15(18)13-4-2-3-5-14(13)19-16(10)11-6-8-12(17)9-7-11/h2-10,16-17H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one?
2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one has a molecular weight of 254.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-3-methyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10777318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).