2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid

C18H14O5 — CID 50991857

IUPAC2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
SMILESCOc1ccc(CC(=O)O)c2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C18H14O5/c1-22-14-8-7-12(9-16(20)21)18-17(14)13(19)10-15(23-18)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyWIQKBWDVTDADOJ-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.10
Rot. Bonds4

About 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid

2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid (PubChem CID 50991857) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
PubChem CID50991857
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
SMILESCOc1ccc(CC(=O)O)c2oc(-c3ccccc3)cc(=O)c12
InChIInChI=1S/C18H14O5/c1-22-14-8-7-12(9-16(20)21)18-17(14)13(19)10-15(23-18)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21)
InChIKeyWIQKBWDVTDADOJ-UHFFFAOYSA-N
XLogP3.10
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,7-dimethoxy-8-(3-methylbut-2-enyl)-2-phenylchromen-4-one
CID 6481172
5,7-dimethoxy-2-phenyl-8-thiophen-3-ylchromen-4-one
CID 57410655
5,7-dimethoxy-8-(2-methylpropylamino)-2-phenylchromen-4-one
CID 101028407
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
2-[4-oxo-2-(2,3,4-trimethoxyphenyl)chromen-8-yl]acetic acid
CID 10595321
8-(3-fluorophenyl)sulfanyl-7-hydroxy-5-methoxy-2-phenylchromen-4-one
CID 153058788
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
7-(hydroxymethyl)-5,8-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 158483004

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid?
The IUPAC name of 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid (CID 50991857) is 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid.
What is the SMILES notation for 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid?
The canonical SMILES for 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid is COc1ccc(CC(=O)O)c2oc(-c3ccccc3)cc(=O)c12.
What is the InChIKey of 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid?
The InChIKey is WIQKBWDVTDADOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-22-14-8-7-12(9-16(20)21)18-17(14)13(19)10-15(23-18)11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,20,21).
What are the key properties of 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid?
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid has a molecular weight of 310.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid is sourced from PubChem (CID 50991857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).