5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol

C15H24O — CID 79436768

IUPAC5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
SMILESCc1ccc(C(CO)CCC(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-12-5-7-13(8-6-12)14(11-16)9-10-15(2,3)4/h5-8,14,16H,9-11H2,1-4H3
InChIKeyAEKSIVLTYFSWEJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.90
Rot. Bonds4

About 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol

5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol (PubChem CID 79436768) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
PubChem CID79436768
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
SMILESCc1ccc(C(CO)CCC(C)(C)C)cc1
InChIInChI=1S/C15H24O/c1-12-5-7-13(8-6-12)14(11-16)9-10-15(2,3)4/h5-8,14,16H,9-11H2,1-4H3
InChIKeyAEKSIVLTYFSWEJ-UHFFFAOYSA-N
XLogP3.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-5,5-dimethylhexan-1-ol
CID 79437377
5,5-dimethyl-2-phenylhexan-1-ol
CID 66060280
1-(1-chloro-5,5-dimethylhexan-2-yl)-4-methylbenzene
CID 79435760
5,5-dimethyl-2-[(4-methylphenyl)methyl]hexan-1-ol
CID 66060531
2-(4-methylphenyl)-5-phenoxypentan-1-ol
CID 79437004
3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 105410820
4-methyl-2-(4-methylphenyl)hexan-1-ol
CID 79436224
3-(2,6-dichlorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 79435910
2-(4-methylphenyl)-2-sulfanylethanol
CID 586176
2-(3,3-dimethylbutoxy)-1-(4-methylphenyl)propan-1-ol
CID 66224938
(2S,3R,6R)-6-(4-methylphenyl)heptane-1,2,3,6-tetrol
CID 10332541
(2S,5S)-2,5-diphenylhexane-1,6-diol
CID 102169365

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol?
The IUPAC name of 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol (CID 79436768) is 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol.
What is the SMILES notation for 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol?
The canonical SMILES for 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol is Cc1ccc(C(CO)CCC(C)(C)C)cc1.
What is the InChIKey of 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol?
The InChIKey is AEKSIVLTYFSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12-5-7-13(8-6-12)14(11-16)9-10-15(2,3)4/h5-8,14,16H,9-11H2,1-4H3.
What are the key properties of 5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol?
5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol has a molecular weight of 220.36 g/mol, XLogP of 3.90, 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-(4-methylphenyl)hexan-1-ol is sourced from PubChem (CID 79436768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).