2-methyl-8-(3-methylphenyl)octan-2-ol

C16H26O — CID 143822225

IUPAC2-methyl-8-(3-methylphenyl)octan-2-ol
SMILESCc1cccc(CCCCCCC(C)(C)O)c1
InChIInChI=1S/C16H26O/c1-14-9-8-11-15(13-14)10-6-4-5-7-12-16(2,3)17/h8-9,11,13,17H,4-7,10,12H2,1-3H3
InChIKeyNTAQZUPQOZQLIV-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.26
Rot. Bonds7

About 2-methyl-8-(3-methylphenyl)octan-2-ol

2-methyl-8-(3-methylphenyl)octan-2-ol (PubChem CID 143822225) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 2-methyl-8-(3-methylphenyl)octan-2-ol.

Molecular Properties

Compound Name2-methyl-8-(3-methylphenyl)octan-2-ol
PubChem CID143822225
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name2-methyl-8-(3-methylphenyl)octan-2-ol
SMILESCc1cccc(CCCCCCC(C)(C)O)c1
InChIInChI=1S/C16H26O/c1-14-9-8-11-15(13-14)10-6-4-5-7-12-16(2,3)17/h8-9,11,13,17H,4-7,10,12H2,1-3H3
InChIKeyNTAQZUPQOZQLIV-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.26
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-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024363
7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
2-methyl-6-phenylhexan-2-ol
CID 12716611
3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
CID 23439737
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
4-[2-[3-(6-hydroxy-6-methylheptyl)phenyl]ethenyl]benzene-1,2-diol
CID 57119515
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 57167140
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-(7-methoxyheptyl)-3-methylbenzene
CID 70248389
1-bromo-4-[9-(3-methylphenyl)nonyl]benzene
CID 123837284
ethane;4-(3-methylphenyl)butan-1-amine
CID 142116258

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(3-methylphenyl)octan-2-ol?
The IUPAC name of 2-methyl-8-(3-methylphenyl)octan-2-ol (CID 143822225) is 2-methyl-8-(3-methylphenyl)octan-2-ol.
What is the SMILES notation for 2-methyl-8-(3-methylphenyl)octan-2-ol?
The canonical SMILES for 2-methyl-8-(3-methylphenyl)octan-2-ol is Cc1cccc(CCCCCCC(C)(C)O)c1.
What is the InChIKey of 2-methyl-8-(3-methylphenyl)octan-2-ol?
The InChIKey is NTAQZUPQOZQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-14-9-8-11-15(13-14)10-6-4-5-7-12-16(2,3)17/h8-9,11,13,17H,4-7,10,12H2,1-3H3.
What are the key properties of 2-methyl-8-(3-methylphenyl)octan-2-ol?
2-methyl-8-(3-methylphenyl)octan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(3-methylphenyl)octan-2-ol is sourced from PubChem (CID 143822225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).