1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one

C20H24O7 — CID 163842520

IUPAC1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one
SMILESCOc1ccc(COCC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H24O7/c1-23-17-6-5-13(8-16(17)22)11-27-12-15(21)7-14-9-18(24-2)20(26-4)19(10-14)25-3/h5-6,8-10,22H,7,11-12H2,1-4H3
InChIKeyONFRAFDIGHJRTH-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.76
Rot. Bonds10

About 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one

1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one (PubChem CID 163842520) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one
PubChem CID163842520
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one
SMILESCOc1ccc(COCC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C20H24O7/c1-23-17-6-5-13(8-16(17)22)11-27-12-15(21)7-14-9-18(24-2)20(26-4)19(10-14)25-3/h5-6,8-10,22H,7,11-12H2,1-4H3
InChIKeyONFRAFDIGHJRTH-UHFFFAOYSA-N
XLogP2.76
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997
4-[(4-hydroxy-3-methoxyphenyl)methoxymethyl]-2-methoxyphenol
CID 22599015
5-(aminomethyl)-2-methoxyphenol
CID 1132998
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-[2-(3-bromo-4,5-dimethoxyphenyl)ethyl]-2-methoxyphenol
CID 172870436
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
CID 94769293
5-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
CID 146075484
[(1R)-2-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)ethyl] carbonochloridate
CID 87446204
2-methyl-4-[(3,4,5-trimethoxyphenyl)methoxymethyl]benzoic acid
CID 70358433
2-(3,4-dimethoxyphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483239
2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 137454022

Frequently Asked Questions

What is the IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one?
The IUPAC name of 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one (CID 163842520) is 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one.
What is the SMILES notation for 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one?
The canonical SMILES for 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one is COc1ccc(COCC(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one?
The InChIKey is ONFRAFDIGHJRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O7/c1-23-17-6-5-13(8-16(17)22)11-27-12-15(21)7-14-9-18(24-2)20(26-4)19(10-14)25-3/h5-6,8-10,22H,7,11-12H2,1-4H3.
What are the key properties of 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one?
1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one has a molecular weight of 376.41 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-hydroxy-4-methoxyphenyl)methoxy]-3-(3,4,5-trimethoxyphenyl)propan-2-one is sourced from PubChem (CID 163842520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).