2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one

C19H22O5 — CID 151498938

IUPAC2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
SMILESCOc1ccc(C(C)C(=O)C(C)c2ccc(OC)cc2O)c(O)c1
InChIInChI=1S/C19H22O5/c1-11(15-7-5-13(23-3)9-17(15)20)19(22)12(2)16-8-6-14(24-4)10-18(16)21/h5-12,20-21H,1-4H3
InChIKeyPPZRTUDOTWGEPZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.59
Rot. Bonds6

About 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one

2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one (PubChem CID 151498938) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
PubChem CID151498938
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one
SMILESCOc1ccc(C(C)C(=O)C(C)c2ccc(OC)cc2O)c(O)c1
InChIInChI=1S/C19H22O5/c1-11(15-7-5-13(23-3)9-17(15)20)19(22)12(2)16-8-6-14(24-4)10-18(16)21/h5-12,20-21H,1-4H3
InChIKeyPPZRTUDOTWGEPZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-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

3-amino-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 170875667
2,3-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)propanamide
CID 171868027
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]-N-methylpropanamide
CID 54950564
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2,4-bis(2-benzylsulfanyl-4-methoxyphenyl)pentan-3-one
CID 174863541
ethane;6-methoxy-3-propan-2-ylnaphthalen-2-ol
CID 143419787
5-methoxy-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974711
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
2-[(1S)-1-amino-3-methylbut-3-enyl]-5-methoxyphenol
CID 171220210
5-methoxy-2-[1-(4-methylpentan-2-ylamino)ethyl]phenol
CID 43371792
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methoxyphenol
CID 104582409

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one?
The IUPAC name of 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one (CID 151498938) is 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one.
What is the SMILES notation for 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one?
The canonical SMILES for 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one is COc1ccc(C(C)C(=O)C(C)c2ccc(OC)cc2O)c(O)c1.
What is the InChIKey of 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one?
The InChIKey is PPZRTUDOTWGEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-11(15-7-5-13(23-3)9-17(15)20)19(22)12(2)16-8-6-14(24-4)10-18(16)21/h5-12,20-21H,1-4H3.
What are the key properties of 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one?
2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one has a molecular weight of 330.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-hydroxy-4-methoxyphenyl)pentan-3-one is sourced from PubChem (CID 151498938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).