[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate

C15H20O4 — CID 75231791

IUPAC[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccc(O)cc1)C(=O)CC(C)C
InChIInChI=1S/C15H20O4/c1-10(2)8-14(18)15(19-11(3)16)9-12-4-6-13(17)7-5-12/h4-7,10,15,17H,8-9H2,1-3H3
InChIKeyMBBUAYGAOIYKHW-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.48
Rot. Bonds6

About [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate

[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate (PubChem CID 75231791) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate
PubChem CID75231791
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate
SMILESCC(=O)OC(Cc1ccc(O)cc1)C(=O)CC(C)C
InChIInChI=1S/C15H20O4/c1-10(2)8-14(18)15(19-11(3)16)9-12-4-6-13(17)7-5-12/h4-7,10,15,17H,8-9H2,1-3H3
InChIKeyMBBUAYGAOIYKHW-UHFFFAOYSA-N
XLogP2.48
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-amino-1-(4-hydroxyphenyl)butan-2-yl] acetate
CID 66681002
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
propan-2-yl 2-ethoxy-3-(4-hydroxyphenyl)propanoate
CID 68679680
ethane;(3-oxo-1-phenylbutan-2-yl) acetate
CID 143592709
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
1-(4-hydroxyphenyl)-2-methylpentan-3-one
CID 66598933
4-(4-hydroxyphenyl)-3-methylbutanoic acid
CID 23378394
4-(2-methylpropyl)phenol;propanoic acid
CID 174874916
[3-(4-hydroxyphenyl)-1-oxo-1-(propan-2-ylamino)propan-2-yl] carbamate
CID 146623345
cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
CID 87864790
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate?
The IUPAC name of [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate (CID 75231791) is [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate.
What is the SMILES notation for [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate?
The canonical SMILES for [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate is CC(=O)OC(Cc1ccc(O)cc1)C(=O)CC(C)C.
What is the InChIKey of [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate?
The InChIKey is MBBUAYGAOIYKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-10(2)8-14(18)15(19-11(3)16)9-12-4-6-13(17)7-5-12/h4-7,10,15,17H,8-9H2,1-3H3.
What are the key properties of [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate?
[1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate has a molecular weight of 264.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-5-methyl-3-oxohexan-2-yl] acetate is sourced from PubChem (CID 75231791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).