diphenylmethanediol;dihydrochloride

C13H14Cl2O2 — CID 174953837

IUPACdiphenylmethanediol;dihydrochloride
SMILESCl.Cl.OC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12O2.2ClH/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-10,14-15H;2*1H
InChIKeyCSHFLIBEBTYJKC-UHFFFAOYSA-N
MW273.16 g/mol
LogP2.72
Rot. Bonds2

About diphenylmethanediol;dihydrochloride

diphenylmethanediol;dihydrochloride (PubChem CID 174953837) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is diphenylmethanediol;dihydrochloride.

Molecular Properties

Compound Namediphenylmethanediol;dihydrochloride
PubChem CID174953837
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Namediphenylmethanediol;dihydrochloride
SMILESCl.Cl.OC(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H12O2.2ClH/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-10,14-15H;2*1H
InChIKeyCSHFLIBEBTYJKC-UHFFFAOYSA-N
XLogP2.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[dihydroxy(phenyl)methyl]phenyl]-phenylmethanediol
CID 19973681
sodium;hydride;triphenylmethanol
CID 174537383
dichloro(phenyl)methanol
CID 25493
2-phenylpropan-2-ylbenzene
CID 13065
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
2-hydroxy-2,2-diphenylacetate;hydrochloride
CID 21418239
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
1-amino-2-phenylpropan-2-ol;hydrochloride
CID 17039439
(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078

Frequently Asked Questions

What is the IUPAC name of diphenylmethanediol;dihydrochloride?
The IUPAC name of diphenylmethanediol;dihydrochloride (CID 174953837) is diphenylmethanediol;dihydrochloride.
What is the SMILES notation for diphenylmethanediol;dihydrochloride?
The canonical SMILES for diphenylmethanediol;dihydrochloride is Cl.Cl.OC(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanediol;dihydrochloride?
The InChIKey is CSHFLIBEBTYJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.2ClH/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;;/h1-10,14-15H;2*1H.
What are the key properties of diphenylmethanediol;dihydrochloride?
diphenylmethanediol;dihydrochloride has a molecular weight of 273.16 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanediol;dihydrochloride is sourced from PubChem (CID 174953837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).