4-Methylbenzyl alcohol

C8H10O — CID 11505

IUPAC(4-methylphenyl)methanol
SMILESCC1=CC=C(C=C1)CO
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKeyKMTDMTZBNYGUNX-UHFFFAOYSA-N
MW122.16 g/mol
LogP1.60
Rot. Bonds1

About 4-Methylbenzyl alcohol

4-Methylbenzyl alcohol (PubChem CID 11505) has the molecular formula C8H10O and a molecular weight of 122.16 g/mol. Its IUPAC name is (4-methylphenyl)methanol.

Molecular Properties

Compound Name4-Methylbenzyl alcohol
PubChem CID11505
Molecular FormulaC8H10O
Molecular Weight122.16 g/mol
Exact Mass122.07
IUPAC Name(4-methylphenyl)methanol
SMILESCC1=CC=C(C=C1)CO
InChIInChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChIKeyKMTDMTZBNYGUNX-UHFFFAOYSA-N
XLogP1.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity72

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-Methylbenzyl alcohol?
The IUPAC name of 4-Methylbenzyl alcohol (CID 11505) is (4-methylphenyl)methanol.
What is the SMILES notation for 4-Methylbenzyl alcohol?
The canonical SMILES for 4-Methylbenzyl alcohol is CC1=CC=C(C=C1)CO.
What is the InChIKey of 4-Methylbenzyl alcohol?
The InChIKey is KMTDMTZBNYGUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3.
What are the key properties of 4-Methylbenzyl alcohol?
4-Methylbenzyl alcohol has a molecular weight of 122.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methylbenzyl alcohol is sourced from PubChem (CID 11505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).