[4-(2,5-dimethylhexan-3-yl)phenyl]methanol

C15H24O — CID 58807001

IUPAC[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
SMILESCC(C)CC(c1ccc(CO)cc1)C(C)C
InChIInChI=1S/C15H24O/c1-11(2)9-15(12(3)4)14-7-5-13(10-16)6-8-14/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyBLGODMZFCDQZLA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.96
Rot. Bonds5

About [4-(2,5-dimethylhexan-3-yl)phenyl]methanol

[4-(2,5-dimethylhexan-3-yl)phenyl]methanol (PubChem CID 58807001) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is [4-(2,5-dimethylhexan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
PubChem CID58807001
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name[4-(2,5-dimethylhexan-3-yl)phenyl]methanol
SMILESCC(C)CC(c1ccc(CO)cc1)C(C)C
InChIInChI=1S/C15H24O/c1-11(2)9-15(12(3)4)14-7-5-13(10-16)6-8-14/h5-8,11-12,15-16H,9-10H2,1-4H3
InChIKeyBLGODMZFCDQZLA-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(1-fluoro-3-methylbutan-2-yl)phenyl]methanol
CID 115020728
[4-(2,5-dimethylhexan-3-yl)phenyl]methyl-trimethylazanium
CID 138495288
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
(1S)-1-[4-(hydroxymethyl)phenyl]ethanol
CID 130747007
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
1-(2,5-dimethylhexan-3-yl)-4-(ethenylsulfonylmethyl)benzene;methane
CID 158478710
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 21425202
[4-(hydroxymethyl)phenyl]methanediol
CID 54533756
[4-[[methyl(4-methylpentan-2-yl)amino]methyl]phenyl]methanol
CID 112631174
[6-(3-methylbutan-2-yl)naphthalen-2-yl]methanol
CID 153437397
[4-[2-methyl-1-(4-methylphenyl)pentan-3-yl]phenyl]methanol
CID 157214226
[4-(4-aminobutan-2-yl)phenyl]methanol
CID 84767971

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylhexan-3-yl)phenyl]methanol?
The IUPAC name of [4-(2,5-dimethylhexan-3-yl)phenyl]methanol (CID 58807001) is [4-(2,5-dimethylhexan-3-yl)phenyl]methanol.
What is the SMILES notation for [4-(2,5-dimethylhexan-3-yl)phenyl]methanol?
The canonical SMILES for [4-(2,5-dimethylhexan-3-yl)phenyl]methanol is CC(C)CC(c1ccc(CO)cc1)C(C)C.
What is the InChIKey of [4-(2,5-dimethylhexan-3-yl)phenyl]methanol?
The InChIKey is BLGODMZFCDQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11(2)9-15(12(3)4)14-7-5-13(10-16)6-8-14/h5-8,11-12,15-16H,9-10H2,1-4H3.
What are the key properties of [4-(2,5-dimethylhexan-3-yl)phenyl]methanol?
[4-(2,5-dimethylhexan-3-yl)phenyl]methanol has a molecular weight of 220.36 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylhexan-3-yl)phenyl]methanol is sourced from PubChem (CID 58807001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).