2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid

C18H14O5 — CID 21315744

IUPAC2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(=O)c2cc(C(=O)O)ccc2o1
InChIInChI=1S/C18H14O5/c1-10-3-5-15(22-2)13(7-10)17-9-14(19)12-8-11(18(20)21)4-6-16(12)23-17/h3-9H,1-2H3,(H,20,21)
InChIKeyCCCXWWHGGRBMBF-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.48
Rot. Bonds3

About 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid

2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid (PubChem CID 21315744) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid
PubChem CID21315744
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid
SMILESCOc1ccc(C)cc1-c1cc(=O)c2cc(C(=O)O)ccc2o1
InChIInChI=1S/C18H14O5/c1-10-3-5-15(22-2)13(7-10)17-9-14(19)12-8-11(18(20)21)4-6-16(12)23-17/h3-9H,1-2H3,(H,20,21)
InChIKeyCCCXWWHGGRBMBF-UHFFFAOYSA-N
XLogP3.48
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-2-propan-2-yloxyphenyl)-4-oxochromene-6-carboxylic acid
CID 21315735
3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoic acid
CID 11823041
4-hydroxy-3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzenesulfonic acid
CID 15380309
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(2-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 13190885
6-methyl-4-oxochromene-2-carboxylic acid
CID 688704
methyl 3-methoxy-5-(6-methyl-4-oxochromen-2-yl)benzoate
CID 11056415
3-(7-methyl-4-oxochromen-2-yl)benzoic acid
CID 82043714
4-[(E)-2-(6-methyl-4-oxochromen-2-yl)ethenyl]benzoic acid
CID 21425809
4-methoxy-3-(5-methyl-2-nitrophenyl)benzoic acid
CID 82039510
3-(2-methoxy-5-methylphenyl)-1H-indazole-6-carboxylic acid
CID 39218703

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid (CID 21315744) is 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid is COc1ccc(C)cc1-c1cc(=O)c2cc(C(=O)O)ccc2o1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid?
The InChIKey is CCCXWWHGGRBMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-10-3-5-15(22-2)13(7-10)17-9-14(19)12-8-11(18(20)21)4-6-16(12)23-17/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid?
2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid has a molecular weight of 310.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-4-oxochromene-6-carboxylic acid is sourced from PubChem (CID 21315744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).