2-(4-methylphenyl)octan-2-ol

C15H24O — CID 65144778

IUPAC2-(4-methylphenyl)octan-2-ol
SMILESCCCCCCC(C)(O)c1ccc(C)cc1
InChIInChI=1S/C15H24O/c1-4-5-6-7-12-15(3,16)14-10-8-13(2)9-11-14/h8-11,16H,4-7,12H2,1-3H3
InChIKeyXTIZBERPEATRFA-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.17
Rot. Bonds6

About 2-(4-methylphenyl)octan-2-ol

2-(4-methylphenyl)octan-2-ol (PubChem CID 65144778) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-(4-methylphenyl)octan-2-ol.

Molecular Properties

Compound Name2-(4-methylphenyl)octan-2-ol
PubChem CID65144778
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-(4-methylphenyl)octan-2-ol
SMILESCCCCCCC(C)(O)c1ccc(C)cc1
InChIInChI=1S/C15H24O/c1-4-5-6-7-12-15(3,16)14-10-8-13(2)9-11-14/h8-11,16H,4-7,12H2,1-3H3
InChIKeyXTIZBERPEATRFA-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034
4-(2-hydroxyheptan-2-yl)phenol
CID 83075318
2-heptyl-2-(4-methylphenyl)propane-1,3-diol
CID 79450135
1-methyl-4-(5-methylnonan-5-yl)benzene;5-methylnonan-5-ol
CID 159636901
2-(3,4-difluorophenyl)heptan-2-ol
CID 80557714
1-[1-bromo-2-(bromomethyl)undecan-2-yl]-4-methylbenzene
CID 79445897
trimethyl-[1-(4-methylphenyl)-1-(trimethylazaniumyl)tridecyl]azanium dichloride
CID 20533310
2-(aminomethyl)-2-(4-methylphenyl)undecan-1-ol
CID 106508544
2-(3-bromophenyl)nonan-2-ol
CID 65144812
1-[1-bromo-2-(bromomethyl)heptan-2-yl]-4-methylbenzene
CID 79455568
1-[1-chloro-2-(chloromethyl)heptan-2-yl]-4-methylbenzene
CID 79447900
2-(aminomethyl)-2-(4-methylphenyl)octanoic acid
CID 106509248

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)octan-2-ol?
The IUPAC name of 2-(4-methylphenyl)octan-2-ol (CID 65144778) is 2-(4-methylphenyl)octan-2-ol.
What is the SMILES notation for 2-(4-methylphenyl)octan-2-ol?
The canonical SMILES for 2-(4-methylphenyl)octan-2-ol is CCCCCCC(C)(O)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)octan-2-ol?
The InChIKey is XTIZBERPEATRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-5-6-7-12-15(3,16)14-10-8-13(2)9-11-14/h8-11,16H,4-7,12H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)octan-2-ol?
2-(4-methylphenyl)octan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)octan-2-ol is sourced from PubChem (CID 65144778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).