1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one

C17H18O5 — CID 139808083

IUPAC1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(O)ccc1CCC(=O)c1ccc(O)cc1OC
InChIInChI=1S/C17H18O5/c1-21-16-9-12(18)5-3-11(16)4-8-15(20)14-7-6-13(19)10-17(14)22-2/h3,5-7,9-10,18-19H,4,8H2,1-2H3
InChIKeyHDHVFHVARGXSGD-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.93
Rot. Bonds6

About 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one

1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one (PubChem CID 139808083) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
PubChem CID139808083
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCOc1cc(O)ccc1CCC(=O)c1ccc(O)cc1OC
InChIInChI=1S/C17H18O5/c1-21-16-9-12(18)5-3-11(16)4-8-15(20)14-7-6-13(19)10-17(14)22-2/h3,5-7,9-10,18-19H,4,8H2,1-2H3
InChIKeyHDHVFHVARGXSGD-UHFFFAOYSA-N
XLogP2.93
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-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

1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one
CID 42607666
1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
bis[4-[3-(2,4-dimethoxyphenyl)propanoyl]-3-methoxyphenyl] hydrogen phosphate
CID 21436861
2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
CID 170896098
1-[3,5-dimethyl-4-(2-methylpropyl)thiophen-2-yl]-3-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 59497920
4-(hydroxymethyl)-3-methoxyphenol
CID 3759783
4-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865239
3-amino-1-(2,4-dimethoxyphenyl)propan-1-one
CID 93183350
4-(fluoromethyl)-3-methoxyphenol
CID 91883535
4-[3-(4-hydroxy-2-methoxyphenyl)-3-oxopropanoyl]phenolate
CID 86289305
1-(2,4-dihydroxyphenyl)-3-(2,4-dimethoxy-3-methylphenyl)propan-1-one;3-(2,4-dihydroxyphenyl)-1-(2-methoxy-3,4-dimethylphenyl)propan-1-one;methane
CID 158469781
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one (CID 139808083) is 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one is COc1cc(O)ccc1CCC(=O)c1ccc(O)cc1OC.
What is the InChIKey of 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one?
The InChIKey is HDHVFHVARGXSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-21-16-9-12(18)5-3-11(16)4-8-15(20)14-7-6-13(19)10-17(14)22-2/h3,5-7,9-10,18-19H,4,8H2,1-2H3.
What are the key properties of 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one?
1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one has a molecular weight of 302.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-hydroxy-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 139808083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).