1-(4-methylphenyl)propan-1-ol

C10H14O — CID 2793873

IUPAC1-(4-methylphenyl)propan-1-ol
SMILESCCC(O)c1ccc(C)cc1
InChIInChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3
InChIKeyZBDUWPZEVMGAMD-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.44
Rot. Bonds2

About 1-(4-methylphenyl)propan-1-ol

1-(4-methylphenyl)propan-1-ol (PubChem CID 2793873) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)propan-1-ol
PubChem CID2793873
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(4-methylphenyl)propan-1-ol
SMILESCCC(O)c1ccc(C)cc1
InChIInChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3
InChIKeyZBDUWPZEVMGAMD-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(4-methylphenyl)propan-1-ol (CID 2793873) is 1-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(4-methylphenyl)propan-1-ol is CCC(O)c1ccc(C)cc1.
What is the InChIKey of 1-(4-methylphenyl)propan-1-ol?
The InChIKey is ZBDUWPZEVMGAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-3-10(11)9-6-4-8(2)5-7-9/h4-7,10-11H,3H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)propan-1-ol?
1-(4-methylphenyl)propan-1-ol has a molecular weight of 150.22 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 2793873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).