1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one

C12H16O2 — CID 81251881

IUPAC1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(C)c(O)cc1C
InChIInChI=1S/C12H16O2/c1-4-5-11(13)10-6-9(3)12(14)7-8(10)2/h6-7,14H,4-5H2,1-3H3
InChIKeyFZAOSFFSHBBYCE-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.99
Rot. Bonds3

About 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one

1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one (PubChem CID 81251881) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
PubChem CID81251881
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(C)c(O)cc1C
InChIInChI=1S/C12H16O2/c1-4-5-11(13)10-6-9(3)12(14)7-8(10)2/h6-7,14H,4-5H2,1-3H3
InChIKeyFZAOSFFSHBBYCE-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4,5-trimethylphenyl)butan-1-one
CID 55269935
1-(2,4,5-trimethylphenyl)nonan-1-one
CID 112698850
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
3-amino-1-(2,4,5-trimethylphenyl)propan-1-one
CID 82281454
1-(4-hydroxy-2,5-dimethylphenyl)-3,3-diphenylpropan-1-one
CID 21331743
1-(5-chloro-3-hydroxy-2-methylphenyl)butan-1-one
CID 90278017
3-sulfanyl-1-(2,4,5-trimethylphenyl)propan-1-one
CID 116830773
1-(4-hydroxy-2,5-dimethylphenyl)-2,2-dimethylpropan-1-one
CID 81251769
1-(2,3-diethyl-7-methylquinoxalin-6-yl)butan-1-one
CID 23041914
1-(2,5-dihydroxy-4-iodophenyl)butan-1-one
CID 118327186
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
1-(4-methoxy-2,3,5-trimethylphenyl)butan-1-one
CID 82053774

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one?
The IUPAC name of 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one (CID 81251881) is 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one?
The canonical SMILES for 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one is CCCC(=O)c1cc(C)c(O)cc1C.
What is the InChIKey of 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one?
The InChIKey is FZAOSFFSHBBYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-5-11(13)10-6-9(3)12(14)7-8(10)2/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one?
1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,5-dimethylphenyl)butan-1-one is sourced from PubChem (CID 81251881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).