1,5-diphenylpentane-1,1-diol

C17H20O2 — CID 67670316

IUPAC1,5-diphenylpentane-1,1-diol
SMILESOC(O)(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(19,16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,18-19H,7-8,11,14H2
InChIKeyVPYWOHBVCHTCGO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.24
Rot. Bonds6

About 1,5-diphenylpentane-1,1-diol

1,5-diphenylpentane-1,1-diol (PubChem CID 67670316) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,5-diphenylpentane-1,1-diol.

Molecular Properties

Compound Name1,5-diphenylpentane-1,1-diol
PubChem CID67670316
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name1,5-diphenylpentane-1,1-diol
SMILESOC(O)(CCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c18-17(19,16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,18-19H,7-8,11,14H2
InChIKeyVPYWOHBVCHTCGO-UHFFFAOYSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylhexan-2-ol
CID 12716611
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008
4-phenylbutylbenzene
CID 141301927
2-methyl-2-(4-phenylbutyl)propanedioic acid
CID 22618855
2,2-dihydroxy-22-phenyldocosanoic acid
CID 54471325
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
1-(1,1-difluoro-5-phenylpentyl)-4-(trifluoromethyl)benzene
CID 132538452
27,27-dimethyloctacosylbenzene
CID 140589361
pentylbenzene
CID 91255123
hydroxy-(2-methyl-6-phenylhexan-2-yl)-diphenylsilane
CID 70887086
2-ethoxy-6-phenylhexan-2-ol
CID 140824356

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpentane-1,1-diol?
The IUPAC name of 1,5-diphenylpentane-1,1-diol (CID 67670316) is 1,5-diphenylpentane-1,1-diol.
What is the SMILES notation for 1,5-diphenylpentane-1,1-diol?
The canonical SMILES for 1,5-diphenylpentane-1,1-diol is OC(O)(CCCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-diphenylpentane-1,1-diol?
The InChIKey is VPYWOHBVCHTCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c18-17(19,16-12-5-2-6-13-16)14-8-7-11-15-9-3-1-4-10-15/h1-6,9-10,12-13,18-19H,7-8,11,14H2.
What are the key properties of 1,5-diphenylpentane-1,1-diol?
1,5-diphenylpentane-1,1-diol has a molecular weight of 256.35 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpentane-1,1-diol is sourced from PubChem (CID 67670316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).