5-hydroxy-1-(4-methylphenyl)pentan-2-one

C12H16O2 — CID 106677388

IUPAC5-hydroxy-1-(4-methylphenyl)pentan-2-one
SMILESCc1ccc(CC(=O)CCCO)cc1
InChIInChI=1S/C12H16O2/c1-10-4-6-11(7-5-10)9-12(14)3-2-8-13/h4-7,13H,2-3,8-9H2,1H3
InChIKeyIWSQNGUCMMGIRV-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds5

About 5-hydroxy-1-(4-methylphenyl)pentan-2-one

5-hydroxy-1-(4-methylphenyl)pentan-2-one (PubChem CID 106677388) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-hydroxy-1-(4-methylphenyl)pentan-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(4-methylphenyl)pentan-2-one
PubChem CID106677388
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-hydroxy-1-(4-methylphenyl)pentan-2-one
SMILESCc1ccc(CC(=O)CCCO)cc1
InChIInChI=1S/C12H16O2/c1-10-4-6-11(7-5-10)9-12(14)3-2-8-13/h4-7,13H,2-3,8-9H2,1H3
InChIKeyIWSQNGUCMMGIRV-UHFFFAOYSA-N
XLogP1.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylphenyl)undecan-2-one
CID 63409898
4-chloro-1-(4-methylphenyl)butan-2-one
CID 57318013
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
1-(4-tert-butylphenyl)-3-(4-methylphenyl)propan-2-one
CID 63409816
1-(4-chlorophenyl)-8-hydroxyoctan-2-one
CID 57297680
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
1-(4-chlorophenyl)-4-(4-methylphenyl)butan-2-one
CID 62503294
1-(4-methylphenyl)hept-5-yn-2-one
CID 104803137
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
5-hydroxy-1-(2,4,6-trimethylphenyl)pentan-2-one
CID 106677424
1-(4-tert-butylphenyl)-4-hydroxybutan-2-one
CID 141254494
ethane;1-(4-methylphenyl)pentane-2,4-dione
CID 142280927

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(4-methylphenyl)pentan-2-one?
The IUPAC name of 5-hydroxy-1-(4-methylphenyl)pentan-2-one (CID 106677388) is 5-hydroxy-1-(4-methylphenyl)pentan-2-one.
What is the SMILES notation for 5-hydroxy-1-(4-methylphenyl)pentan-2-one?
The canonical SMILES for 5-hydroxy-1-(4-methylphenyl)pentan-2-one is Cc1ccc(CC(=O)CCCO)cc1.
What is the InChIKey of 5-hydroxy-1-(4-methylphenyl)pentan-2-one?
The InChIKey is IWSQNGUCMMGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-10-4-6-11(7-5-10)9-12(14)3-2-8-13/h4-7,13H,2-3,8-9H2,1H3.
What are the key properties of 5-hydroxy-1-(4-methylphenyl)pentan-2-one?
5-hydroxy-1-(4-methylphenyl)pentan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(4-methylphenyl)pentan-2-one is sourced from PubChem (CID 106677388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).