7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one

C17H14O3 — CID 175976298

IUPAC7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
SMILESCc1ccc(Cc2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H14O3/c1-11-2-4-12(5-3-11)8-13-10-20-16-9-14(18)6-7-15(16)17(13)19/h2-7,9-10,18H,8H2,1H3
InChIKeyCDYVEJQRUBXCKF-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.40
Rot. Bonds2

About 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one

7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one (PubChem CID 175976298) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
PubChem CID175976298
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one
SMILESCc1ccc(Cc2coc3cc(O)ccc3c2=O)cc1
InChIInChI=1S/C17H14O3/c1-11-2-4-12(5-3-11)8-13-10-20-16-9-14(18)6-7-15(16)17(13)19/h2-7,9-10,18H,8H2,1H3
InChIKeyCDYVEJQRUBXCKF-UHFFFAOYSA-N
XLogP3.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylphenyl)methyl]-7-hydroxychromen-4-one
CID 142717412
7-hydroxy-3-methylchromen-4-one
CID 13419593
3-fluoro-7-hydroxychromen-4-one
CID 14948349
(7-methyl-2-oxochromen-4-yl)methyl 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 7414844
3-[(4-ethoxyanilino)methyl]-7-hydroxychromen-4-one
CID 175346941
3-(2,2-dimethylpropyl)-1-benzofuran-6-ol
CID 22459006
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-benzyl-5-chloro-7-hydroxychromen-4-one
CID 14254485
3-(4-acetylphenyl)-7-hydroxychromen-4-one
CID 71506237
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
[2-[(4-methylphenyl)methyl-propylamino]-2-oxoethyl] 2-(6-hydroxy-1-benzofuran-3-yl)acetate
CID 8887166
ethyl 4-fluoro-2-[4-oxo-3-[(4-phenylphenyl)methyl]chromen-7-yl]benzoate
CID 23288064

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one?
The IUPAC name of 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one (CID 175976298) is 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one.
What is the SMILES notation for 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one?
The canonical SMILES for 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one is Cc1ccc(Cc2coc3cc(O)ccc3c2=O)cc1.
What is the InChIKey of 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one?
The InChIKey is CDYVEJQRUBXCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-2-4-12(5-3-11)8-13-10-20-16-9-14(18)6-7-15(16)17(13)19/h2-7,9-10,18H,8H2,1H3.
What are the key properties of 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one?
7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-[(4-methylphenyl)methyl]chromen-4-one is sourced from PubChem (CID 175976298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).