4-hydroxy-1-(4-methylphenyl)butan-1-one

C11H14O2 — CID 11378832

IUPAC4-hydroxy-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CCCO)cc1
InChIInChI=1S/C11H14O2/c1-9-4-6-10(7-5-9)11(13)3-2-8-12/h4-7,12H,2-3,8H2,1H3
InChIKeyUPNRGDJOTNBPLV-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.95
Rot. Bonds4

About 4-hydroxy-1-(4-methylphenyl)butan-1-one

4-hydroxy-1-(4-methylphenyl)butan-1-one (PubChem CID 11378832) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-hydroxy-1-(4-methylphenyl)butan-1-one.

Molecular Properties

Compound Name4-hydroxy-1-(4-methylphenyl)butan-1-one
PubChem CID11378832
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-hydroxy-1-(4-methylphenyl)butan-1-one
SMILESCc1ccc(C(=O)CCCO)cc1
InChIInChI=1S/C11H14O2/c1-9-4-6-10(7-5-9)11(13)3-2-8-12/h4-7,12H,2-3,8H2,1H3
InChIKeyUPNRGDJOTNBPLV-UHFFFAOYSA-N
XLogP1.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(4-methylphenyl)butan-1-one?
The IUPAC name of 4-hydroxy-1-(4-methylphenyl)butan-1-one (CID 11378832) is 4-hydroxy-1-(4-methylphenyl)butan-1-one.
What is the SMILES notation for 4-hydroxy-1-(4-methylphenyl)butan-1-one?
The canonical SMILES for 4-hydroxy-1-(4-methylphenyl)butan-1-one is Cc1ccc(C(=O)CCCO)cc1.
What is the InChIKey of 4-hydroxy-1-(4-methylphenyl)butan-1-one?
The InChIKey is UPNRGDJOTNBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-4-6-10(7-5-9)11(13)3-2-8-12/h4-7,12H,2-3,8H2,1H3.
What are the key properties of 4-hydroxy-1-(4-methylphenyl)butan-1-one?
4-hydroxy-1-(4-methylphenyl)butan-1-one has a molecular weight of 178.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(4-methylphenyl)butan-1-one is sourced from PubChem (CID 11378832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).