benzene-1,2-diol;2,2-diphenylacetic acid

C20H18O4 — CID 70395054

IUPACbenzene-1,2-diol;2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccc1.Oc1ccccc1O
InChIInChI=1S/C14H12O2.C6H6O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10,13H,(H,15,16);1-4,7-8H
InChIKeyOBOKQBRCLBZUDG-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.00
Rot. Bonds3

About benzene-1,2-diol;2,2-diphenylacetic acid

benzene-1,2-diol;2,2-diphenylacetic acid (PubChem CID 70395054) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is benzene-1,2-diol;2,2-diphenylacetic acid.

Molecular Properties

Compound Namebenzene-1,2-diol;2,2-diphenylacetic acid
PubChem CID70395054
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namebenzene-1,2-diol;2,2-diphenylacetic acid
SMILESO=C(O)C(c1ccccc1)c1ccccc1.Oc1ccccc1O
InChIInChI=1S/C14H12O2.C6H6O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10,13H,(H,15,16);1-4,7-8H
InChIKeyOBOKQBRCLBZUDG-UHFFFAOYSA-N
XLogP4.00
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
lithium;2,2-diphenylacetic acid;hydride
CID 174648923
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
acridine;2,2-diphenylacetic acid
CID 139120811
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
chloranium 2,2-diphenylacetate
CID 162326731
2,2-diphenylacetic acid;4-methylbenzenesulfonic acid
CID 174514296

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diol;2,2-diphenylacetic acid?
The IUPAC name of benzene-1,2-diol;2,2-diphenylacetic acid (CID 70395054) is benzene-1,2-diol;2,2-diphenylacetic acid.
What is the SMILES notation for benzene-1,2-diol;2,2-diphenylacetic acid?
The canonical SMILES for benzene-1,2-diol;2,2-diphenylacetic acid is O=C(O)C(c1ccccc1)c1ccccc1.Oc1ccccc1O.
What is the InChIKey of benzene-1,2-diol;2,2-diphenylacetic acid?
The InChIKey is OBOKQBRCLBZUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C6H6O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-5-3-1-2-4-6(5)8/h1-10,13H,(H,15,16);1-4,7-8H.
What are the key properties of benzene-1,2-diol;2,2-diphenylacetic acid?
benzene-1,2-diol;2,2-diphenylacetic acid has a molecular weight of 322.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diol;2,2-diphenylacetic acid is sourced from PubChem (CID 70395054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).