1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone

C17H18O5 — CID 51039636

IUPAC1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(-c2cc(OC)c(O)c(OC)c2)c1
InChIInChI=1S/C17H18O5/c1-10(18)13-6-5-12(20-2)9-14(13)11-7-15(21-3)17(19)16(8-11)22-4/h5-9,19H,1-4H3
InChIKeyXZWAHYRGJOVFRR-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.29
Rot. Bonds5

About 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone

1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone (PubChem CID 51039636) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone
PubChem CID51039636
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone
SMILESCOc1ccc(C(C)=O)c(-c2cc(OC)c(O)c(OC)c2)c1
InChIInChI=1S/C17H18O5/c1-10(18)13-6-5-12(20-2)9-14(13)11-7-15(21-3)17(19)16(8-11)22-4/h5-9,19H,1-4H3
InChIKeyXZWAHYRGJOVFRR-UHFFFAOYSA-N
XLogP3.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,4-difluorophenyl)-4-methoxyphenyl]ethanone
CID 139791589
2,4-dimethoxybenzoate
CID 6947027
1-[2-(2,5-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647048
2-(2-acetyl-5-methoxyphenyl)benzaldehyde
CID 42645680
hexakis(2-acetyl-5-methoxyphenolate);tris(manganese(2+))
CID 139070317
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
1-(4-methoxy-2-trimethylsilyloxyphenyl)ethanone
CID 6425501
(E)-1-(2,4-dimethoxyphenyl)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-en-1-one
CID 8832774
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
1-[2-(2,4-dimethoxyphenyl)-5-fluorophenyl]ethanone
CID 175647044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone?
The IUPAC name of 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone (CID 51039636) is 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone?
The canonical SMILES for 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone is COc1ccc(C(C)=O)c(-c2cc(OC)c(O)c(OC)c2)c1.
What is the InChIKey of 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone?
The InChIKey is XZWAHYRGJOVFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-10(18)13-6-5-12(20-2)9-14(13)11-7-15(21-3)17(19)16(8-11)22-4/h5-9,19H,1-4H3.
What are the key properties of 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone?
1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone has a molecular weight of 302.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxy-3,5-dimethoxyphenyl)-4-methoxyphenyl]ethanone is sourced from PubChem (CID 51039636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).