1-(4-methylphenyl)ethanol

C9H12O — CID 10817

IUPAC1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)O)cc1
InChIInChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
InChIKeyJESIHYIJKKUWIS-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.05
Rot. Bonds1

About 1-(4-methylphenyl)ethanol

1-(4-methylphenyl)ethanol (PubChem CID 10817) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 1-(4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-methylphenyl)ethanol
PubChem CID10817
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name1-(4-methylphenyl)ethanol
SMILESCc1ccc(C(C)O)cc1
InChIInChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3
InChIKeyJESIHYIJKKUWIS-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)ethanol?
The IUPAC name of 1-(4-methylphenyl)ethanol (CID 10817) is 1-(4-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-methylphenyl)ethanol?
The canonical SMILES for 1-(4-methylphenyl)ethanol is Cc1ccc(C(C)O)cc1.
What is the InChIKey of 1-(4-methylphenyl)ethanol?
The InChIKey is JESIHYIJKKUWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3.
What are the key properties of 1-(4-methylphenyl)ethanol?
1-(4-methylphenyl)ethanol has a molecular weight of 136.19 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)ethanol is sourced from PubChem (CID 10817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).