7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one

C18H16O4 — CID 10685346

IUPAC7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one
SMILESCc1c(C)c2cc(OCc3ccccc3)c(O)cc2oc1=O
InChIInChI=1S/C18H16O4/c1-11-12(2)18(20)22-16-9-15(19)17(8-14(11)16)21-10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3
InChIKeyNQGPNJBRKKWSBC-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.69
Rot. Bonds3

About 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one

7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one (PubChem CID 10685346) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one
PubChem CID10685346
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one
SMILESCc1c(C)c2cc(OCc3ccccc3)c(O)cc2oc1=O
InChIInChI=1S/C18H16O4/c1-11-12(2)18(20)22-16-9-15(19)17(8-14(11)16)21-10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3
InChIKeyNQGPNJBRKKWSBC-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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Related Compounds

3,4-dimethyl-6,7-bis(phenylmethoxy)chromen-2-one
CID 10810185
5,6-dimethyl-2-oxo-7-phenylmethoxychromene-3-carboxylic acid
CID 121297954
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268
7,9-dimethoxy-2,3-bis(phenylmethoxy)benzo[c]chromen-6-one
CID 102527760
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
CID 90933686
2-(hydroxymethyl)-6-methoxy-7-phenylmethoxychromen-4-one
CID 126484702
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one?
The IUPAC name of 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one (CID 10685346) is 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one.
What is the SMILES notation for 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one?
The canonical SMILES for 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one is Cc1c(C)c2cc(OCc3ccccc3)c(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one?
The InChIKey is NQGPNJBRKKWSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-11-12(2)18(20)22-16-9-15(19)17(8-14(11)16)21-10-13-6-4-3-5-7-13/h3-9,19H,10H2,1-2H3.
What are the key properties of 7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one?
7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-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-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one is sourced from PubChem (CID 10685346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).