2-methyl-5-phenylhexan-2-ol

C13H20O — CID 12716609

IUPAC2-methyl-5-phenylhexan-2-ol
SMILESCC(CCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H20O/c1-11(9-10-13(2,3)14)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyCZLYZCVTRDMXLH-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.34
Rot. Bonds4

About 2-methyl-5-phenylhexan-2-ol

2-methyl-5-phenylhexan-2-ol (PubChem CID 12716609) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-5-phenylhexan-2-ol.

Molecular Properties

Compound Name2-methyl-5-phenylhexan-2-ol
PubChem CID12716609
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-5-phenylhexan-2-ol
SMILESCC(CCC(C)(C)O)c1ccccc1
InChIInChI=1S/C13H20O/c1-11(9-10-13(2,3)14)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3
InChIKeyCZLYZCVTRDMXLH-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(2-methyl-5-phenylhexan-2-yl) carbamate
CID 174566123
2-methyl-4-[[(1S)-1-phenylethyl]amino]butan-2-ol
CID 10889092
pentan-2-ylbenzene
CID 17627
1-[(2-hydroxy-2-methylpropyl)-[(1R)-1-phenylethyl]amino]-2-methylpropan-2-ol
CID 15518749
2-methyl-N'-(3-phenylbutyl)propanimidamide
CID 63181443
4-chlorobutan-2-ylbenzene
CID 570466
2-amino-1-chloro-2-(3-phenylbutyl)propane-1,3-diol
CID 142628633
3,3-dimethyl-4-(3-phenylbutylamino)butan-1-ol
CID 107095044
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441
1-methyl-6-phenylheptane-1,2,3-tricarboxylic acid
CID 140940953
(5-hydroxy-5-methylhexan-2-yl) benzoate
CID 154709483

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenylhexan-2-ol?
The IUPAC name of 2-methyl-5-phenylhexan-2-ol (CID 12716609) is 2-methyl-5-phenylhexan-2-ol.
What is the SMILES notation for 2-methyl-5-phenylhexan-2-ol?
The canonical SMILES for 2-methyl-5-phenylhexan-2-ol is CC(CCC(C)(C)O)c1ccccc1.
What is the InChIKey of 2-methyl-5-phenylhexan-2-ol?
The InChIKey is CZLYZCVTRDMXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-11(9-10-13(2,3)14)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3.
What are the key properties of 2-methyl-5-phenylhexan-2-ol?
2-methyl-5-phenylhexan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenylhexan-2-ol is sourced from PubChem (CID 12716609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).