7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one

C20H20O4 — CID 800958

IUPAC7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
SMILESCOc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1C
InChIInChI=1S/C20H20O4/c1-12-13(2)20(21)24-19-14(3)17(10-9-16(12)19)23-11-15-7-5-6-8-18(15)22-4/h5-10H,11H2,1-4H3
InChIKeyYRYHPTVWHDSOAH-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.31
Rot. Bonds4

About 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one

7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one (PubChem CID 800958) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one.

Molecular Properties

Compound Name7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
PubChem CID800958
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Name7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one
SMILESCOc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1C
InChIInChI=1S/C20H20O4/c1-12-13(2)20(21)24-19-14(3)17(10-9-16(12)19)23-11-15-7-5-6-8-18(15)22-4/h5-10H,11H2,1-4H3
InChIKeyYRYHPTVWHDSOAH-UHFFFAOYSA-N
XLogP4.31
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[7-[(2-methoxyphenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetate
CID 1332937
7-[(2-chloro-4-fluorophenyl)methoxy]-3,4,8-trimethylchromen-2-one
CID 2244077
3-methoxy-4-methylbenzo[c]chromen-6-one
CID 681437
7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
2-[7-[(2-iodophenyl)methoxy]-4,8-dimethyl-2-oxochromen-3-yl]acetic acid
CID 155531834
7-[(2-iodophenyl)methoxy]-4,8-dimethyl-3-(2-oxopropyl)chromen-2-one
CID 163862292
methyl 3-[4,8-dimethyl-7-(naphthalen-1-ylmethoxy)-2-oxochromen-3-yl]propanoate
CID 45271668
7-[2-(4-methoxyphenyl)-2-oxoethoxy]-3,4,8-trimethylchromen-2-one
CID 983934
4-methyl-3-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzo[c]chromen-6-one
CID 2277386
3-[(2-methoxy-5-nitrophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1332998
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
2-(4-methyl-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 5140703

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one?
The IUPAC name of 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one (CID 800958) is 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one.
What is the SMILES notation for 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one?
The canonical SMILES for 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one is COc1ccccc1COc1ccc2c(C)c(C)c(=O)oc2c1C.
What is the InChIKey of 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one?
The InChIKey is YRYHPTVWHDSOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-12-13(2)20(21)24-19-14(3)17(10-9-16(12)19)23-11-15-7-5-6-8-18(15)22-4/h5-10H,11H2,1-4H3.
What are the key properties of 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one?
7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one has a molecular weight of 324.38 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxyphenyl)methoxy]-3,4,8-trimethylchromen-2-one is sourced from PubChem (CID 800958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).