2-methyl-4-(4-methylphenyl)pentan-2-ol

C13H20O — CID 11041610

IUPAC2-methyl-4-(4-methylphenyl)pentan-2-ol
SMILESCc1ccc(C(C)CC(C)(C)O)cc1
InChIInChI=1S/C13H20O/c1-10-5-7-12(8-6-10)11(2)9-13(3,4)14/h5-8,11,14H,9H2,1-4H3
InChIKeyPSZOPCBJBJVKEW-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.26
Rot. Bonds3

About 2-methyl-4-(4-methylphenyl)pentan-2-ol

2-methyl-4-(4-methylphenyl)pentan-2-ol (PubChem CID 11041610) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)pentan-2-ol
PubChem CID11041610
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-methyl-4-(4-methylphenyl)pentan-2-ol
SMILESCc1ccc(C(C)CC(C)(C)O)cc1
InChIInChI=1S/C13H20O/c1-10-5-7-12(8-6-10)11(2)9-13(3,4)14/h5-8,11,14H,9H2,1-4H3
InChIKeyPSZOPCBJBJVKEW-UHFFFAOYSA-N
XLogP3.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol
CID 126614779
N,2-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 164863400
2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid
CID 155645520
(E,6R)-2-methyl-6-(4-methylphenyl)hept-3-en-2-ol
CID 162868571
2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
1-methyl-4-[(2S)-4-methylpent-4-en-2-yl]benzene
CID 122401758
[(2R)-4,4-dimethylpentan-2-yl]benzene;bis(1-[(2R)-4,4-dimethylpentan-2-yl]-4-methylbenzene);2,2-dimethylpropylcyclopropane
CID 158923341
1-[(2S)-3,3-dimethylbutan-2-yl]-4-methylbenzene
CID 58051727
(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)pentan-2-ol?
The IUPAC name of 2-methyl-4-(4-methylphenyl)pentan-2-ol (CID 11041610) is 2-methyl-4-(4-methylphenyl)pentan-2-ol.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)pentan-2-ol?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)pentan-2-ol is Cc1ccc(C(C)CC(C)(C)O)cc1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)pentan-2-ol?
The InChIKey is PSZOPCBJBJVKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10-5-7-12(8-6-10)11(2)9-13(3,4)14/h5-8,11,14H,9H2,1-4H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)pentan-2-ol?
2-methyl-4-(4-methylphenyl)pentan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylphenyl)pentan-2-ol is sourced from PubChem (CID 11041610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).