4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol

C14H22O — CID 62916066

IUPAC4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol
SMILESCc1ccc(CC(C(C)C)C(C)O)cc1
InChIInChI=1S/C14H22O/c1-10(2)14(12(4)15)9-13-7-5-11(3)6-8-13/h5-8,10,12,14-15H,9H2,1-4H3
InChIKeyZVIDCWQTVKQCBK-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.19
Rot. Bonds4

About 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol

4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol (PubChem CID 62916066) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol.

Molecular Properties

Compound Name4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol
PubChem CID62916066
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol
SMILESCc1ccc(CC(C(C)C)C(C)O)cc1
InChIInChI=1S/C14H22O/c1-10(2)14(12(4)15)9-13-7-5-11(3)6-8-13/h5-8,10,12,14-15H,9H2,1-4H3
InChIKeyZVIDCWQTVKQCBK-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2R)-2-methyl-3-(4-methylphenyl)propan-1-ol
CID 59708463
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
4-methyl-3-[(4-methylphenyl)methyl]pent-1-en-2-amine
CID 167120568
5-(4-methylphenyl)pentane-2,3-diol
CID 67119841
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-(4-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60797629
1-(4-chlorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 60798023
ethenol;1-methyl-4-(2-methylpropyl)benzene
CID 163264631
(3R)-4-methyl-3-[(4-methylphenyl)methyl]pentanoic acid
CID 69228127

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol?
The IUPAC name of 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol (CID 62916066) is 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol.
What is the SMILES notation for 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol?
The canonical SMILES for 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol is Cc1ccc(CC(C(C)C)C(C)O)cc1.
What is the InChIKey of 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol?
The InChIKey is ZVIDCWQTVKQCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10(2)14(12(4)15)9-13-7-5-11(3)6-8-13/h5-8,10,12,14-15H,9H2,1-4H3.
What are the key properties of 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol?
4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(4-methylphenyl)methyl]pentan-2-ol is sourced from PubChem (CID 62916066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).