1-(4-methylphenyl)octan-2-ol

C15H24O — CID 62607878

IUPAC1-(4-methylphenyl)octan-2-ol
SMILESCCCCCCC(O)Cc1ccc(C)cc1
InChIInChI=1S/C15H24O/c1-3-4-5-6-7-15(16)12-14-10-8-13(2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3
InChIKeyLFRMWAJFYMZTLN-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.87
Rot. Bonds7

About 1-(4-methylphenyl)octan-2-ol

1-(4-methylphenyl)octan-2-ol (PubChem CID 62607878) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)octan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)octan-2-ol
PubChem CID62607878
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-(4-methylphenyl)octan-2-ol
SMILESCCCCCCC(O)Cc1ccc(C)cc1
InChIInChI=1S/C15H24O/c1-3-4-5-6-7-15(16)12-14-10-8-13(2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3
InChIKeyLFRMWAJFYMZTLN-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.87
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

1-(4-methylphenyl)dodecan-3-ol
CID 105084894
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
2-[(4-methylphenyl)methyl]undecan-1-ol
CID 66059453
7-octadecyl-1-phenylpentacosan-2-ol
CID 162497246
1-(2-bromodecyl)-4-methylbenzene
CID 65427581
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
octane;octan-2-ol;bis(1,4-xylene)
CID 161441445
4-ethyl-1-(4-methylphenyl)octan-2-ol
CID 63410684
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)octan-2-ol?
The IUPAC name of 1-(4-methylphenyl)octan-2-ol (CID 62607878) is 1-(4-methylphenyl)octan-2-ol.
What is the SMILES notation for 1-(4-methylphenyl)octan-2-ol?
The canonical SMILES for 1-(4-methylphenyl)octan-2-ol is CCCCCCC(O)Cc1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)octan-2-ol?
The InChIKey is LFRMWAJFYMZTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-3-4-5-6-7-15(16)12-14-10-8-13(2)9-11-14/h8-11,15-16H,3-7,12H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)octan-2-ol?
1-(4-methylphenyl)octan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)octan-2-ol is sourced from PubChem (CID 62607878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).