4-benzyl-2-ethylhexane-1,6-diol

C15H24O2 — CID 141380082

IUPAC4-benzyl-2-ethylhexane-1,6-diol
SMILESCCC(CO)CC(CCO)Cc1ccccc1
InChIInChI=1S/C15H24O2/c1-2-13(12-17)10-15(8-9-16)11-14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3
InChIKeyCQGPOGSFEGQUNG-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.64
Rot. Bonds8

About 4-benzyl-2-ethylhexane-1,6-diol

4-benzyl-2-ethylhexane-1,6-diol (PubChem CID 141380082) has the molecular formula C15H24O2 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-benzyl-2-ethylhexane-1,6-diol.

Molecular Properties

Compound Name4-benzyl-2-ethylhexane-1,6-diol
PubChem CID141380082
Molecular FormulaC15H24O2
Molecular Weight236.36 g/mol
Exact Mass236.18
IUPAC Name4-benzyl-2-ethylhexane-1,6-diol
SMILESCCC(CO)CC(CCO)Cc1ccccc1
InChIInChI=1S/C15H24O2/c1-2-13(12-17)10-15(8-9-16)11-14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3
InChIKeyCQGPOGSFEGQUNG-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-benzylheptan-1-ol
CID 15214037
2-ethylbutylbenzene;methane
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3-benzylpentadecan-1-ol
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3-benzylheptadecan-1-ol
CID 70425860
2-benzyloctadecan-1-ol
CID 67814123
(5S)-3-benzyl-5-phenylmethoxyhexan-1-ol
CID 147439182
(2R)-2-benzylbutan-1-amine
CID 42325983
(2S)-2-amino-N-(2-ethyl-4-hydroxybutyl)-3-phenylpropanamide;hydrochloride
CID 119327618
(3R)-3-benzyl-4-hydroxybutanenitrile
CID 11126787
3-benzylpentanoic acid
CID 57185920
2-[(3-bromophenyl)methyl]-4-ethylhexan-1-ol
CID 82934582
(2R)-2-benzyl-3-methylpentan-1-ol
CID 15214035

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-ethylhexane-1,6-diol?
The IUPAC name of 4-benzyl-2-ethylhexane-1,6-diol (CID 141380082) is 4-benzyl-2-ethylhexane-1,6-diol.
What is the SMILES notation for 4-benzyl-2-ethylhexane-1,6-diol?
The canonical SMILES for 4-benzyl-2-ethylhexane-1,6-diol is CCC(CO)CC(CCO)Cc1ccccc1.
What is the InChIKey of 4-benzyl-2-ethylhexane-1,6-diol?
The InChIKey is CQGPOGSFEGQUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-2-13(12-17)10-15(8-9-16)11-14-6-4-3-5-7-14/h3-7,13,15-17H,2,8-12H2,1H3.
What are the key properties of 4-benzyl-2-ethylhexane-1,6-diol?
4-benzyl-2-ethylhexane-1,6-diol has a molecular weight of 236.36 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-ethylhexane-1,6-diol is sourced from PubChem (CID 141380082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).