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

C14H22O — CID 63011565

IUPAC2,5-dimethyl-1-phenylhexan-2-ol
SMILESCC(C)CCC(C)(O)Cc1ccccc1
InChIInChI=1S/C14H22O/c1-12(2)9-10-14(3,15)11-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3
InChIKeyNGKQKKSDPWRIQS-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.42
Rot. Bonds5

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

2,5-dimethyl-1-phenylhexan-2-ol (PubChem CID 63011565) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenylhexan-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-phenylhexan-2-ol
PubChem CID63011565
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,5-dimethyl-1-phenylhexan-2-ol
SMILESCC(C)CCC(C)(O)Cc1ccccc1
InChIInChI=1S/C14H22O/c1-12(2)9-10-14(3,15)11-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3
InChIKeyNGKQKKSDPWRIQS-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-1,4-diphenylbutan-2-ol
CID 103642101
1-(4-methoxyphenyl)-2,5-dimethylhexan-2-ol
CID 65145568
3,5-dimethyl-1-phenylhexan-3-ol
CID 12643765
(2S)-4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol
CID 672914
(3S,5R)-3-(dimethylamino)-8-hydroxy-5,8-dimethyl-9-phenylnonan-2-one
CID 142943679
1-benzyl-3-(2-hydroxy-2,5-dimethylhexyl)urea
CID 111450167
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
4-(dimethylamino)-2-methyl-1-phenylbutan-2-ol;hydrochloride
CID 50985676
2,5,8-trimethylnonan-5-ol
CID 58574498
1-(4-chloro-2-fluorophenyl)-2,5-dimethylhexan-2-ol
CID 114280035
[2-methyl-2-(3-methylbutoxy)propyl]benzene
CID 149129100
2-methyl-1-(2-methylpropylamino)-4-phenylbutan-2-ol
CID 62774344

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenylhexan-2-ol?
The IUPAC name of 2,5-dimethyl-1-phenylhexan-2-ol (CID 63011565) is 2,5-dimethyl-1-phenylhexan-2-ol.
What is the SMILES notation for 2,5-dimethyl-1-phenylhexan-2-ol?
The canonical SMILES for 2,5-dimethyl-1-phenylhexan-2-ol is CC(C)CCC(C)(O)Cc1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenylhexan-2-ol?
The InChIKey is NGKQKKSDPWRIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-12(2)9-10-14(3,15)11-13-7-5-4-6-8-13/h4-8,12,15H,9-11H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-phenylhexan-2-ol?
2,5-dimethyl-1-phenylhexan-2-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 2,5-dimethyl-1-phenylhexan-2-ol is sourced from PubChem (CID 63011565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).