4-(3-hydroxy-4-methylphenyl)butan-2-one

C11H14O2 — CID 83695947

IUPAC4-(3-hydroxy-4-methylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(C)c(O)c1
InChIInChI=1S/C11H14O2/c1-8-3-5-10(7-11(8)13)6-4-9(2)12/h3,5,7,13H,4,6H2,1-2H3
InChIKeyXYBFLYDHSRFJIG-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.22
Rot. Bonds3

About 4-(3-hydroxy-4-methylphenyl)butan-2-one

4-(3-hydroxy-4-methylphenyl)butan-2-one (PubChem CID 83695947) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-(3-hydroxy-4-methylphenyl)butan-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-4-methylphenyl)butan-2-one
PubChem CID83695947
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-(3-hydroxy-4-methylphenyl)butan-2-one
SMILESCC(=O)CCc1ccc(C)c(O)c1
InChIInChI=1S/C11H14O2/c1-8-3-5-10(7-11(8)13)6-4-9(2)12/h3,5,7,13H,4,6H2,1-2H3
InChIKeyXYBFLYDHSRFJIG-UHFFFAOYSA-N
XLogP2.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(3-hydroxy-4-methylphenyl)ethyl]-2-methylphenol
CID 138664749
4-(3,4-dimethylphenyl)butan-2-one;propane
CID 143070567
methyl 3-(3-hydroxy-4-methylphenyl)propanoate
CID 20742465
4-(3-iodo-4-methylphenyl)butan-2-one
CID 130470899
ethane;4-[3-(hydroxyamino)-4-methylphenyl]butan-2-one
CID 143272325
13-(3-hydroxy-4-methylphenyl)-10-oxotridecanoic acid
CID 158929956
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
4-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 45094126
2-methyl-5-[3-(methylamino)propyl]phenol
CID 83696087
CID 175900742
CID 175900742
2-methyl-5-(4-methylpentyl)phenol
CID 163753923
2-[2-(3-hydroxy-4-methylphenyl)ethyl]guanidine
CID 118351548

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-4-methylphenyl)butan-2-one?
The IUPAC name of 4-(3-hydroxy-4-methylphenyl)butan-2-one (CID 83695947) is 4-(3-hydroxy-4-methylphenyl)butan-2-one.
What is the SMILES notation for 4-(3-hydroxy-4-methylphenyl)butan-2-one?
The canonical SMILES for 4-(3-hydroxy-4-methylphenyl)butan-2-one is CC(=O)CCc1ccc(C)c(O)c1.
What is the InChIKey of 4-(3-hydroxy-4-methylphenyl)butan-2-one?
The InChIKey is XYBFLYDHSRFJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-3-5-10(7-11(8)13)6-4-9(2)12/h3,5,7,13H,4,6H2,1-2H3.
What are the key properties of 4-(3-hydroxy-4-methylphenyl)butan-2-one?
4-(3-hydroxy-4-methylphenyl)butan-2-one has a molecular weight of 178.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-4-methylphenyl)butan-2-one is sourced from PubChem (CID 83695947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).