1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one

C14H20O3 — CID 71334151

IUPAC1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
SMILESCOc1cc(CCC(=O)C(C)(C)C)ccc1O
InChIInChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5,7,9,15H,6,8H2,1-4H3
InChIKeyUQICWCMGJKDDEK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one

1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one (PubChem CID 71334151) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
PubChem CID71334151
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
SMILESCOc1cc(CCC(=O)C(C)(C)C)ccc1O
InChIInChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5,7,9,15H,6,8H2,1-4H3
InChIKeyUQICWCMGJKDDEK-UHFFFAOYSA-N
XLogP2.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one 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

CID 175936648
CID 175936648
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
1-(4-chlorophenyl)-5-(4-hydroxy-3-methoxyphenyl)-2,2-dimethylpentane-1,3-dione
CID 141198589
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(4-methoxy-3-nitrophenyl)-4,4-dimethylpentan-3-one
CID 43370340
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
(E)-1-(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 10130870
(Z)-1,7-bis(4-hydroxy-3-methoxyphenyl)hept-4-en-3-one
CID 91715816
methyl 5-(4-hydroxy-3-methoxyphenyl)-2-[3-(4-hydroxy-3-methoxyphenyl)propanoyl]-3-oxopentanoate
CID 134337029
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
2-(4-hydroxy-3-methoxyphenyl)ethylazanium
CID 6927014

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one (CID 71334151) is 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one is COc1cc(CCC(=O)C(C)(C)C)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one?
The InChIKey is UQICWCMGJKDDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5,7,9,15H,6,8H2,1-4H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one?
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one has a molecular weight of 236.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one is sourced from PubChem (CID 71334151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).