3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one

C17H14O5 — CID 156776464

IUPAC3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
SMILESCOc1ccc(O)c(-c2cc3ccc(OC)cc3oc2=O)c1
InChIInChI=1S/C17H14O5/c1-20-11-5-6-15(18)13(8-11)14-7-10-3-4-12(21-2)9-16(10)22-17(14)19/h3-9,18H,1-2H3
InChIKeyHDJZROKOAFCQFS-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.18
Rot. Bonds3

About 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one

3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one (PubChem CID 156776464) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
PubChem CID156776464
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
SMILESCOc1ccc(O)c(-c2cc3ccc(OC)cc3oc2=O)c1
InChIInChI=1S/C17H14O5/c1-20-11-5-6-15(18)13(8-11)14-7-10-3-4-12(21-2)9-16(10)22-17(14)19/h3-9,18H,1-2H3
InChIKeyHDJZROKOAFCQFS-UHFFFAOYSA-N
XLogP3.18
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
[3-(2,5-dimethoxyphenyl)-2-oxochromen-7-yl] 2,6-dimethoxybenzoate
CID 4838182
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
7-methoxy-3-(3-methylphenyl)chromen-2-one
CID 87584032
3-(2,5-dimethoxyphenyl)-7-(3-methylbut-2-enoxy)chromen-2-one
CID 4966436
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
7-methoxy-3-prop-1-en-2-ylchromen-2-one
CID 24787160
7-methoxy-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]chromen-2-one
CID 22423891
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
[3-(2,4-dimethoxyphenyl)-2-oxochromen-7-yl] cyclopropanecarboxylate
CID 4964484
[3-(4-methoxyphenyl)-2-oxochromen-7-yl] trifluoromethanesulfonate
CID 86657006

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one?
The IUPAC name of 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one (CID 156776464) is 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one.
What is the SMILES notation for 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one?
The canonical SMILES for 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one is COc1ccc(O)c(-c2cc3ccc(OC)cc3oc2=O)c1.
What is the InChIKey of 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one?
The InChIKey is HDJZROKOAFCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-20-11-5-6-15(18)13(8-11)14-7-10-3-4-12(21-2)9-16(10)22-17(14)19/h3-9,18H,1-2H3.
What are the key properties of 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one?
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one has a molecular weight of 298.29 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one is sourced from PubChem (CID 156776464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).