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

C13H20O — CID 60799364

IUPAC3-[(4-methylphenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1ccc(C)cc1
InChIInChI=1S/C13H20O/c1-4-13(14,5-2)10-12-8-6-11(3)7-9-12/h6-9,14H,4-5,10H2,1-3H3
InChIKeyRILMYHCAMQYLPE-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.09
Rot. Bonds4

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

3-[(4-methylphenyl)methyl]pentan-3-ol (PubChem CID 60799364) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]pentan-3-ol
PubChem CID60799364
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name3-[(4-methylphenyl)methyl]pentan-3-ol
SMILESCCC(O)(CC)Cc1ccc(C)cc1
InChIInChI=1S/C13H20O/c1-4-13(14,5-2)10-12-8-6-11(3)7-9-12/h6-9,14H,4-5,10H2,1-3H3
InChIKeyRILMYHCAMQYLPE-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
Fenipentol
CID 3338
1-Phenyl-3-methyl-3-pentanol
CID 61516
2-Methyl-4-phenyl-2-butanol
CID 7632
2-Methyl-1-phenyl-2-propanol
CID 7531
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
2-Phenyl-1-propanol
CID 14295
p-Cymen-8-ol
CID 14529
4-Phenyl-2-butanol
CID 61302
5-Phenyl-1-pentanol
CID 61523

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]pentan-3-ol?
The IUPAC name of 3-[(4-methylphenyl)methyl]pentan-3-ol (CID 60799364) is 3-[(4-methylphenyl)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]pentan-3-ol?
The canonical SMILES for 3-[(4-methylphenyl)methyl]pentan-3-ol is CCC(O)(CC)Cc1ccc(C)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]pentan-3-ol?
The InChIKey is RILMYHCAMQYLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-13(14,5-2)10-12-8-6-11(3)7-9-12/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 3-[(4-methylphenyl)methyl]pentan-3-ol?
3-[(4-methylphenyl)methyl]pentan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]pentan-3-ol is sourced from PubChem (CID 60799364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).