7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one

C18H16O4 — CID 10518026

IUPAC7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3cccc(O)c3)cc2oc1=O
InChIInChI=1S/C18H16O4/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9,19H,10H2,1-2H3
InChIKeyGLRZWGPLUSPXHR-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.69
Rot. Bonds3

About 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one

7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one (PubChem CID 10518026) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one.

Molecular Properties

Compound Name7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one
PubChem CID10518026
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one
SMILESCc1c(C)c2ccc(OCc3cccc(O)c3)cc2oc1=O
InChIInChI=1S/C18H16O4/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9,19H,10H2,1-2H3
InChIKeyGLRZWGPLUSPXHR-UHFFFAOYSA-N
XLogP3.69
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one?
The IUPAC name of 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one (CID 10518026) is 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one.
What is the SMILES notation for 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one?
The canonical SMILES for 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one is Cc1c(C)c2ccc(OCc3cccc(O)c3)cc2oc1=O.
What is the InChIKey of 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one?
The InChIKey is GLRZWGPLUSPXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-12(2)18(20)22-17-9-15(6-7-16(11)17)21-10-13-4-3-5-14(19)8-13/h3-9,19H,10H2,1-2H3.
What are the key properties of 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one?
7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one has a molecular weight of 296.32 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxyphenyl)methoxy]-3,4-dimethylchromen-2-one is sourced from PubChem (CID 10518026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).