2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid

C16H14O6 — CID 154168626

IUPAC2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
SMILESCOc1ccc(C(=O)c2ccccc2C(O)(O)C(=O)O)cc1
InChIInChI=1S/C16H14O6/c1-22-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)16(20,21)15(18)19/h2-9,20-21H,1H3,(H,18,19)
InChIKeyOEMJPUPNXJQJFD-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.15
Rot. Bonds5

About 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid

2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid (PubChem CID 154168626) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid.

Molecular Properties

Compound Name2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
PubChem CID154168626
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid
SMILESCOc1ccc(C(=O)c2ccccc2C(O)(O)C(=O)O)cc1
InChIInChI=1S/C16H14O6/c1-22-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)16(20,21)15(18)19/h2-9,20-21H,1H3,(H,18,19)
InChIKeyOEMJPUPNXJQJFD-UHFFFAOYSA-N
XLogP1.15
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058
2-(4-methoxybenzoyl)benzoyl chloride
CID 13352630
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanone
CID 23404431
[2-(2-hydroxypropan-2-yl)phenyl]-phenylmethanone
CID 15254692
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
2-benzoyl-N'-(4-methoxybenzoyl)benzohydrazide
CID 585519
(2-ethenylphenyl)-(4-methoxyphenyl)methanone
CID 134346906
(4-phenoxyphenyl)-[2-(trifluoromethyl)phenyl]methanone
CID 163987169
(2-cyclobutylphenyl)-(4-methoxyphenyl)methanone
CID 114601682
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
The IUPAC name of 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid (CID 154168626) is 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid.
What is the SMILES notation for 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
The canonical SMILES for 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid is COc1ccc(C(=O)c2ccccc2C(O)(O)C(=O)O)cc1.
What is the InChIKey of 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
The InChIKey is OEMJPUPNXJQJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-22-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)16(20,21)15(18)19/h2-9,20-21H,1H3,(H,18,19).
What are the key properties of 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid?
2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid has a molecular weight of 302.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-2-[2-(4-methoxybenzoyl)phenyl]acetic acid is sourced from PubChem (CID 154168626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).