3-methoxy-2-(4-methylphenyl)chromen-4-one

C17H14O3 — CID 139049420

IUPAC3-methoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1c(-c2ccc(C)cc2)oc2ccccc2c1=O
InChIInChI=1S/C17H14O3/c1-11-7-9-12(10-8-11)16-17(19-2)15(18)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3
InChIKeyPPNPSERFAHPYAW-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.78
Rot. Bonds2

About 3-methoxy-2-(4-methylphenyl)chromen-4-one

3-methoxy-2-(4-methylphenyl)chromen-4-one (PubChem CID 139049420) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methoxy-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name3-methoxy-2-(4-methylphenyl)chromen-4-one
PubChem CID139049420
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-methoxy-2-(4-methylphenyl)chromen-4-one
SMILESCOc1c(-c2ccc(C)cc2)oc2ccccc2c1=O
InChIInChI=1S/C17H14O3/c1-11-7-9-12(10-8-11)16-17(19-2)15(18)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3
InChIKeyPPNPSERFAHPYAW-UHFFFAOYSA-N
XLogP3.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-6-methyl-2-[4-(N-methylanilino)phenyl]chromen-4-one
CID 118594281
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
3,6-dimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 14804651
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
2-(4-fluorophenyl)-3-(3-methoxypropoxy)chromen-4-one
CID 175470085
3-(3-methoxyphenyl)-2-(4-methylphenyl)-1-benzofuran
CID 135057387
5-hydroxy-2-(4-hydroxyphenyl)-3-methoxychromen-4-one
CID 14269668
3-amino-2-(4-aminophenyl)chromen-4-one
CID 10562758
6,11-bis(4-methylphenyl)indeno[1,2-c]chromene
CID 71490854

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 3-methoxy-2-(4-methylphenyl)chromen-4-one (CID 139049420) is 3-methoxy-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 3-methoxy-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 3-methoxy-2-(4-methylphenyl)chromen-4-one is COc1c(-c2ccc(C)cc2)oc2ccccc2c1=O.
What is the InChIKey of 3-methoxy-2-(4-methylphenyl)chromen-4-one?
The InChIKey is PPNPSERFAHPYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-11-7-9-12(10-8-11)16-17(19-2)15(18)13-5-3-4-6-14(13)20-16/h3-10H,1-2H3.
What are the key properties of 3-methoxy-2-(4-methylphenyl)chromen-4-one?
3-methoxy-2-(4-methylphenyl)chromen-4-one has a molecular weight of 266.30 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 139049420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).