3,5-dimethyl-1-phenylhexan-3-ol

C14H22O — CID 12643765

IUPAC3,5-dimethyl-1-phenylhexan-3-ol
SMILESCC(C)CC(C)(O)CCc1ccccc1
InChIInChI=1S/C14H22O/c1-12(2)11-14(3,15)10-9-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3
InChIKeyJQYQDTQTTWXELP-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds5

About 3,5-dimethyl-1-phenylhexan-3-ol

3,5-dimethyl-1-phenylhexan-3-ol (PubChem CID 12643765) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-phenylhexan-3-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-phenylhexan-3-ol
PubChem CID12643765
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name3,5-dimethyl-1-phenylhexan-3-ol
SMILESCC(C)CC(C)(O)CCc1ccccc1
InChIInChI=1S/C14H22O/c1-12(2)11-14(3,15)10-9-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3
InChIKeyJQYQDTQTTWXELP-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

2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
3-methyl-1-(2-methylpropylamino)-5-phenylpentan-3-ol
CID 66003057
(E,4S)-6-methyl-4-(2-phenylethyl)hept-2-en-4-ol
CID 154719951
2,5-dimethyl-1-phenylhexan-2-ol
CID 63011565
4-hydroxy-4-methyl-6-phenylhexan-2-one
CID 101034765
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
(5-bromo-3,3-dimethylhexyl)benzene
CID 64718338
ethyl (3R)-3-hydroxy-3-methyl-5-phenylpentanoate
CID 155931906
2-amino-N-(2-hydroxy-2,4-dimethylpentyl)-3-phenylpropanamide
CID 66174477
N-(2-hydroxy-2-methyl-4-phenylbutyl)benzenesulfonamide
CID 90498566

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-phenylhexan-3-ol?
The IUPAC name of 3,5-dimethyl-1-phenylhexan-3-ol (CID 12643765) is 3,5-dimethyl-1-phenylhexan-3-ol.
What is the SMILES notation for 3,5-dimethyl-1-phenylhexan-3-ol?
The canonical SMILES for 3,5-dimethyl-1-phenylhexan-3-ol is CC(C)CC(C)(O)CCc1ccccc1.
What is the InChIKey of 3,5-dimethyl-1-phenylhexan-3-ol?
The InChIKey is JQYQDTQTTWXELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)11-14(3,15)10-9-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-phenylhexan-3-ol?
3,5-dimethyl-1-phenylhexan-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 3,5-dimethyl-1-phenylhexan-3-ol is sourced from PubChem (CID 12643765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).