3-benzyl-5-methylhexan-3-ol

C14H22O — CID 79008448

IUPAC3-benzyl-5-methylhexan-3-ol
SMILESCCC(O)(Cc1ccccc1)CC(C)C
InChIInChI=1S/C14H22O/c1-4-14(15,10-12(2)3)11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChIKeyNZGKBPZRCXDECI-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds5

About 3-benzyl-5-methylhexan-3-ol

3-benzyl-5-methylhexan-3-ol (PubChem CID 79008448) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-benzyl-5-methylhexan-3-ol.

Molecular Properties

Compound Name3-benzyl-5-methylhexan-3-ol
PubChem CID79008448
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3-benzyl-5-methylhexan-3-ol
SMILESCCC(O)(Cc1ccccc1)CC(C)C
InChIInChI=1S/C14H22O/c1-4-14(15,10-12(2)3)11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3
InChIKeyNZGKBPZRCXDECI-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-(2-ethyl-2-hydroxy-4-methylpentyl)-2-methoxyphenol
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8-benzylpentadecan-8-ol
CID 13016086
1-phenylpentane-2,2-diol
CID 56635388
[2-(2,4-dimethyl-1-phenylpentan-2-yl)oxy-2,4-dimethylpentyl]benzene
CID 169096985
2-benzyl-1-(2,5-dichlorophenyl)butan-2-ol
CID 79008245
(2R)-2-amino-2-benzyl-4-methylpentanamide
CID 66678418
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
2,2-dimethylpropylbenzene;methanol
CID 157125736

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-methylhexan-3-ol?
The IUPAC name of 3-benzyl-5-methylhexan-3-ol (CID 79008448) is 3-benzyl-5-methylhexan-3-ol.
What is the SMILES notation for 3-benzyl-5-methylhexan-3-ol?
The canonical SMILES for 3-benzyl-5-methylhexan-3-ol is CCC(O)(Cc1ccccc1)CC(C)C.
What is the InChIKey of 3-benzyl-5-methylhexan-3-ol?
The InChIKey is NZGKBPZRCXDECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-14(15,10-12(2)3)11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3.
What are the key properties of 3-benzyl-5-methylhexan-3-ol?
3-benzyl-5-methylhexan-3-ol has a molecular weight of 206.33 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-methylhexan-3-ol is sourced from PubChem (CID 79008448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).