[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol

C20H18O4 — CID 19973681

IUPAC[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
SMILESOC(O)(c1ccccc1)c1ccccc1C(O)(O)c1ccccc1
InChIInChI=1S/C20H18O4/c21-19(22,15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(23,24)16-11-5-2-6-12-16/h1-14,21-24H
InChIKeyJIPCMSUIIGXOEN-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.06
Rot. Bonds4

About [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol

[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol (PubChem CID 19973681) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol.

Molecular Properties

Compound Name[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
PubChem CID19973681
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Name[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
SMILESOC(O)(c1ccccc1)c1ccccc1C(O)(O)c1ccccc1
InChIInChI=1S/C20H18O4/c21-19(22,15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(23,24)16-11-5-2-6-12-16/h1-14,21-24H
InChIKeyJIPCMSUIIGXOEN-UHFFFAOYSA-N
XLogP2.06
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

diphenylmethanediol;dihydrochloride
CID 174953837
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
(2-tert-butylphenyl)-diphenylmethanol
CID 139660969
sodium;hydride;triphenylmethanol
CID 174537383
dichloro(phenyl)methanol
CID 25493
1-(2-phenylpropan-2-yl)-2-[2-(2-phenylpropan-2-yl)phenyl]sulfanylbenzene
CID 156695476
CID 175980360
CID 175980360
CID 161419410
CID 161419410
ethane;2-hydroxy-2,2-diphenylacetic acid
CID 143307418
2-phenylpropan-2-ylbenzene
CID 13065

Frequently Asked Questions

What is the IUPAC name of [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol?
The IUPAC name of [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol (CID 19973681) is [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol.
What is the SMILES notation for [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol?
The canonical SMILES for [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol is OC(O)(c1ccccc1)c1ccccc1C(O)(O)c1ccccc1.
What is the InChIKey of [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol?
The InChIKey is JIPCMSUIIGXOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c21-19(22,15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(23,24)16-11-5-2-6-12-16/h1-14,21-24H.
What are the key properties of [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol?
[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol has a molecular weight of 322.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol is sourced from PubChem (CID 19973681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).