4-methyl-2-(4-methylphenyl)hexan-1-ol

C14H22O — CID 79436224

IUPAC4-methyl-2-(4-methylphenyl)hexan-1-ol
SMILESCCC(C)CC(CO)c1ccc(C)cc1
InChIInChI=1S/C14H22O/c1-4-11(2)9-14(10-15)13-7-5-12(3)6-8-13/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyMPEZVLQSXNQONO-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.51
Rot. Bonds5

About 4-methyl-2-(4-methylphenyl)hexan-1-ol

4-methyl-2-(4-methylphenyl)hexan-1-ol (PubChem CID 79436224) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)hexan-1-ol
PubChem CID79436224
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-methyl-2-(4-methylphenyl)hexan-1-ol
SMILESCCC(C)CC(CO)c1ccc(C)cc1
InChIInChI=1S/C14H22O/c1-4-11(2)9-14(10-15)13-7-5-12(3)6-8-13/h5-8,11,14-15H,4,9-10H2,1-3H3
InChIKeyMPEZVLQSXNQONO-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-(4-methylphenyl)hexan-1-amine
CID 79436258
1,4-bis[3-methyl-1-(4-methylphenyl)pentyl]benzene
CID 23499732
(2R)-2-(4-bromophenyl)butan-1-ol
CID 59315157
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
ethane;methane;5-methylheptan-3-ylbenzene
CID 168921698
N-methyl-2-(4-methylphenyl)butan-1-amine
CID 64984808
2-(2-chlorophenyl)-4-methylhexan-1-ol
CID 79449327
5,5-dimethyl-2-(4-methylphenyl)hexan-1-ol
CID 79436768
(2S)-2-[[(1S)-1-(4-methylphenyl)propyl]amino]propan-1-ol
CID 93082647
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)hexan-1-ol?
The IUPAC name of 4-methyl-2-(4-methylphenyl)hexan-1-ol (CID 79436224) is 4-methyl-2-(4-methylphenyl)hexan-1-ol.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)hexan-1-ol?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)hexan-1-ol is CCC(C)CC(CO)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)hexan-1-ol?
The InChIKey is MPEZVLQSXNQONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-11(2)9-14(10-15)13-7-5-12(3)6-8-13/h5-8,11,14-15H,4,9-10H2,1-3H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)hexan-1-ol?
4-methyl-2-(4-methylphenyl)hexan-1-ol has a molecular weight of 206.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)hexan-1-ol is sourced from PubChem (CID 79436224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).