4-methyl-1-(2-methylphenyl)heptan-3-ol

C15H24O — CID 107894629

IUPAC4-methyl-1-(2-methylphenyl)heptan-3-ol
SMILESCCCC(C)C(O)CCc1ccccc1C
InChIInChI=1S/C15H24O/c1-4-7-13(3)15(16)11-10-14-9-6-5-8-12(14)2/h5-6,8-9,13,15-16H,4,7,10-11H2,1-3H3
InChIKeyAXGLUVNJIXDCTA-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.72
Rot. Bonds6

About 4-methyl-1-(2-methylphenyl)heptan-3-ol

4-methyl-1-(2-methylphenyl)heptan-3-ol (PubChem CID 107894629) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-1-(2-methylphenyl)heptan-3-ol.

Molecular Properties

Compound Name4-methyl-1-(2-methylphenyl)heptan-3-ol
PubChem CID107894629
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methyl-1-(2-methylphenyl)heptan-3-ol
SMILESCCCC(C)C(O)CCc1ccccc1C
InChIInChI=1S/C15H24O/c1-4-7-13(3)15(16)11-10-14-9-6-5-8-12(14)2/h5-6,8-9,13,15-16H,4,7,10-11H2,1-3H3
InChIKeyAXGLUVNJIXDCTA-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)heptane-3,4-diol
CID 83924175
1-(2-methylphenyl)decan-3-ol
CID 105085012
1-(2-methylphenyl)heptan-3-amine
CID 105125604
4-methyl-1-(2-methylphenyl)heptan-3-one
CID 107891244
1-amino-2,5-bis(2-methylphenyl)pentan-3-ol
CID 65186565
4-(2-methylphenyl)-1-propoxybutan-2-ol
CID 105111883
(3S,4S)-8-(2-methylphenyl)octane-3,4-diol
CID 138511161
5-(2,3-dimethylphenyl)pentane-2,3-diol
CID 83922085
6-(2-methylphenyl)hexan-3-ol
CID 64514172
5-methyl-1-(2-methylphenyl)octan-3-one
CID 105091409
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
3-methyl-1-phenylhexan-2-ol
CID 63018482

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylphenyl)heptan-3-ol?
The IUPAC name of 4-methyl-1-(2-methylphenyl)heptan-3-ol (CID 107894629) is 4-methyl-1-(2-methylphenyl)heptan-3-ol.
What is the SMILES notation for 4-methyl-1-(2-methylphenyl)heptan-3-ol?
The canonical SMILES for 4-methyl-1-(2-methylphenyl)heptan-3-ol is CCCC(C)C(O)CCc1ccccc1C.
What is the InChIKey of 4-methyl-1-(2-methylphenyl)heptan-3-ol?
The InChIKey is AXGLUVNJIXDCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-7-13(3)15(16)11-10-14-9-6-5-8-12(14)2/h5-6,8-9,13,15-16H,4,7,10-11H2,1-3H3.
What are the key properties of 4-methyl-1-(2-methylphenyl)heptan-3-ol?
4-methyl-1-(2-methylphenyl)heptan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylphenyl)heptan-3-ol is sourced from PubChem (CID 107894629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).