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

C12H16O2 — CID 58867976

IUPAC4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
SMILESCC(=O)C(C)Cc1ccc(O)c(C)c1
InChIInChI=1S/C12H16O2/c1-8(10(3)13)6-11-4-5-12(14)9(2)7-11/h4-5,7-8,14H,6H2,1-3H3
InChIKeyOZIDUAIFBBIDFT-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.47
Rot. Bonds3

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

4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one (PubChem CID 58867976) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
PubChem CID58867976
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one
SMILESCC(=O)C(C)Cc1ccc(O)c(C)c1
InChIInChI=1S/C12H16O2/c1-8(10(3)13)6-11-4-5-12(14)9(2)7-11/h4-5,7-8,14H,6H2,1-3H3
InChIKeyOZIDUAIFBBIDFT-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydroxyphenyl)-3-methylbutan-2-one
CID 77410272
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
3-methyl-4-[4-(2-methyl-3-oxobutyl)phenyl]butan-2-one
CID 19020081
4-[2-[4-[1-(4-hydroxy-3-methylphenyl)propan-2-yl]phenyl]propyl]-2-methylphenol
CID 172761768
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
(2S)-3-(4-hydroxy-3-methylphenyl)-2-(methylamino)propanoic acid
CID 57173897
4-(2-amino-4-methylpentyl)-2-methylphenol
CID 178163187
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
4-[4-amino-3-(aminomethyl)-2-methylbutyl]-2-methylphenol
CID 83922952
4-[(2R,3R)-3-[(4-hydroxy-3-methylphenyl)methyl]-2-propylhexyl]-2-methylphenol
CID 121339044
1-amino-1-(4-hydroxy-3-methylphenyl)propan-2-one
CID 55295295
2-methyl-4-[(Z)-2-methylhex-3-enyl]phenol
CID 83923027

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one?
The IUPAC name of 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one (CID 58867976) is 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one?
The canonical SMILES for 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one is CC(=O)C(C)Cc1ccc(O)c(C)c1.
What is the InChIKey of 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one?
The InChIKey is OZIDUAIFBBIDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(10(3)13)6-11-4-5-12(14)9(2)7-11/h4-5,7-8,14H,6H2,1-3H3.
What are the key properties of 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one?
4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 58867976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).