4-methylphenol;pentan-2-ol

C12H20O2 — CID 159232980

IUPAC4-methylphenol;pentan-2-ol
SMILESCCCC(C)O.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C5H12O/c1-6-2-4-7(8)5-3-6;1-3-4-5(2)6/h2-5,8H,1H3;5-6H,3-4H2,1-2H3
InChIKeyKTDBPUJNOIIAKR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.87
Rot. Bonds2

About 4-methylphenol;pentan-2-ol

4-methylphenol;pentan-2-ol (PubChem CID 159232980) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 4-methylphenol;pentan-2-ol.

Molecular Properties

Compound Name4-methylphenol;pentan-2-ol
PubChem CID159232980
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name4-methylphenol;pentan-2-ol
SMILESCCCC(C)O.Cc1ccc(O)cc1
InChIInChI=1S/C7H8O.C5H12O/c1-6-2-4-7(8)5-3-6;1-3-4-5(2)6/h2-5,8H,1H3;5-6H,3-4H2,1-2H3
InChIKeyKTDBPUJNOIIAKR-UHFFFAOYSA-N
XLogP2.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylphenol;pentan-2-ol?
The IUPAC name of 4-methylphenol;pentan-2-ol (CID 159232980) is 4-methylphenol;pentan-2-ol.
What is the SMILES notation for 4-methylphenol;pentan-2-ol?
The canonical SMILES for 4-methylphenol;pentan-2-ol is CCCC(C)O.Cc1ccc(O)cc1.
What is the InChIKey of 4-methylphenol;pentan-2-ol?
The InChIKey is KTDBPUJNOIIAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C5H12O/c1-6-2-4-7(8)5-3-6;1-3-4-5(2)6/h2-5,8H,1H3;5-6H,3-4H2,1-2H3.
What are the key properties of 4-methylphenol;pentan-2-ol?
4-methylphenol;pentan-2-ol has a molecular weight of 196.29 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylphenol;pentan-2-ol is sourced from PubChem (CID 159232980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).