5,5-dimethyl-2-phenylhexan-1-ol

C14H22O — CID 66060280

IUPAC5,5-dimethyl-2-phenylhexan-1-ol
SMILESCC(C)(C)CCC(CO)c1ccccc1
InChIInChI=1S/C14H22O/c1-14(2,3)10-9-13(11-15)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3
InChIKeyOHSYRVVCKONQFN-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.59
Rot. Bonds4

About 5,5-dimethyl-2-phenylhexan-1-ol

5,5-dimethyl-2-phenylhexan-1-ol (PubChem CID 66060280) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5,5-dimethyl-2-phenylhexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-phenylhexan-1-ol
PubChem CID66060280
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5,5-dimethyl-2-phenylhexan-1-ol
SMILESCC(C)(C)CCC(CO)c1ccccc1
InChIInChI=1S/C14H22O/c1-14(2,3)10-9-13(11-15)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3
InChIKeyOHSYRVVCKONQFN-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5,5-dimethyl-2-phenylhexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
CID 79436768
2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365
(2R,4R)-2-tert-butyl-2-methyl-4-phenylpentane-1,5-diol
CID 58432679
(3-hydroxy-2-phenylpropyl)-λ2-stannane
CID 173264317
(2S)-2-(benzhydrylamino)-5,5-dimethylhexanoic acid
CID 167496389
(5-hydroxy-2-methyl-4-phenylpentan-2-yl) carbamate
CID 150050073
5-methylsulfonyl-2-phenylpentan-1-ol
CID 66058366
(4,4-dimethyl-1-phenylpentyl)hydrazine
CID 105199306
3-(3-hydroxy-2-phenylpropoxy)-2-phenylpropan-1-ol
CID 56973826
sodium;hydride;4-hydroxy-3-phenylbutane-1-sulfonic acid
CID 173165688
2-phenyl-4-phosphorosooxybutan-1-ol
CID 57195519

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-phenylhexan-1-ol?
The IUPAC name of 5,5-dimethyl-2-phenylhexan-1-ol (CID 66060280) is 5,5-dimethyl-2-phenylhexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-2-phenylhexan-1-ol?
The canonical SMILES for 5,5-dimethyl-2-phenylhexan-1-ol is CC(C)(C)CCC(CO)c1ccccc1.
What is the InChIKey of 5,5-dimethyl-2-phenylhexan-1-ol?
The InChIKey is OHSYRVVCKONQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-14(2,3)10-9-13(11-15)12-7-5-4-6-8-12/h4-8,13,15H,9-11H2,1-3H3.
What are the key properties of 5,5-dimethyl-2-phenylhexan-1-ol?
5,5-dimethyl-2-phenylhexan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-phenylhexan-1-ol is sourced from PubChem (CID 66060280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).