2,3-dibenzylpentane-1,4-diol

C19H24O2 — CID 86084378

IUPAC2,3-dibenzylpentane-1,4-diol
SMILESCC(O)C(Cc1ccccc1)C(CO)Cc1ccccc1
InChIInChI=1S/C19H24O2/c1-15(21)19(13-17-10-6-3-7-11-17)18(14-20)12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3
InChIKeyBLQHTZYHVZJNRP-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.08
Rot. Bonds7

About 2,3-dibenzylpentane-1,4-diol

2,3-dibenzylpentane-1,4-diol (PubChem CID 86084378) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,3-dibenzylpentane-1,4-diol.

Molecular Properties

Compound Name2,3-dibenzylpentane-1,4-diol
PubChem CID86084378
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2,3-dibenzylpentane-1,4-diol
SMILESCC(O)C(Cc1ccccc1)C(CO)Cc1ccccc1
InChIInChI=1S/C19H24O2/c1-15(21)19(13-17-10-6-3-7-11-17)18(14-20)12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3
InChIKeyBLQHTZYHVZJNRP-UHFFFAOYSA-N
XLogP3.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035
(2S,3S)-3-benzylbutane-1,2,4-triol
CID 13198346
3,4-dibenzylheptane-2,5-diol
CID 86084391
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(2-benzyl-3-methylbutyl)benzene
CID 22277918
3-fluoro-4-phenylbutan-2-ol
CID 105433789
3-methyl-1-phenylpentane-2,4-diol
CID 59748553
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
(1-hydroxy-1-oxonio-3-phenylpropan-2-yl)oxidanium
CID 100992087
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
(E,2S,3S)-2-benzyl-4,5-diiodo-5-phenylpent-4-ene-1,3-diol
CID 139042598

Frequently Asked Questions

What is the IUPAC name of 2,3-dibenzylpentane-1,4-diol?
The IUPAC name of 2,3-dibenzylpentane-1,4-diol (CID 86084378) is 2,3-dibenzylpentane-1,4-diol.
What is the SMILES notation for 2,3-dibenzylpentane-1,4-diol?
The canonical SMILES for 2,3-dibenzylpentane-1,4-diol is CC(O)C(Cc1ccccc1)C(CO)Cc1ccccc1.
What is the InChIKey of 2,3-dibenzylpentane-1,4-diol?
The InChIKey is BLQHTZYHVZJNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-15(21)19(13-17-10-6-3-7-11-17)18(14-20)12-16-8-4-2-5-9-16/h2-11,15,18-21H,12-14H2,1H3.
What are the key properties of 2,3-dibenzylpentane-1,4-diol?
2,3-dibenzylpentane-1,4-diol has a molecular weight of 284.40 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibenzylpentane-1,4-diol is sourced from PubChem (CID 86084378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).