1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one

C20H24O3 — CID 68749359

IUPAC1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one
SMILESCCCC(=O)CCc1cccc(OC)c1-c1ccc(OC)cc1
InChIInChI=1S/C20H24O3/c1-4-6-17(21)12-9-15-7-5-8-19(23-3)20(15)16-10-13-18(22-2)14-11-16/h5,7-8,10-11,13-14H,4,6,9,12H2,1-3H3
InChIKeyHZZUIIVUJTZRGB-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.67
Rot. Bonds8

About 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one

1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one (PubChem CID 68749359) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one.

Molecular Properties

Compound Name1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one
PubChem CID68749359
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one
SMILESCCCC(=O)CCc1cccc(OC)c1-c1ccc(OC)cc1
InChIInChI=1S/C20H24O3/c1-4-6-17(21)12-9-15-7-5-8-19(23-3)20(15)16-10-13-18(22-2)14-11-16/h5,7-8,10-11,13-14H,4,6,9,12H2,1-3H3
InChIKeyHZZUIIVUJTZRGB-UHFFFAOYSA-N
XLogP4.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159925855
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1-amino-4-(2,3-dimethoxyphenyl)butan-2-one;hydrochloride
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1-ethyl-2,3-bis(4-methoxyphenyl)benzene
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methyl 2-[2-(4-chlorophenyl)-3-methoxyphenyl]acetate
CID 12732376
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
CID 82185105
2-(3-methoxy-2-phenylphenyl)acetaldehyde
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1-(3-methoxyphenyl)heptan-4-one
CID 64502649
dimethyl 4-(2-methoxy-6-pentadecylphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one?
The IUPAC name of 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one (CID 68749359) is 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one.
What is the SMILES notation for 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one?
The canonical SMILES for 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one is CCCC(=O)CCc1cccc(OC)c1-c1ccc(OC)cc1.
What is the InChIKey of 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one?
The InChIKey is HZZUIIVUJTZRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-4-6-17(21)12-9-15-7-5-8-19(23-3)20(15)16-10-13-18(22-2)14-11-16/h5,7-8,10-11,13-14H,4,6,9,12H2,1-3H3.
What are the key properties of 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one?
1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one has a molecular weight of 312.41 g/mol, XLogP of 4.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(4-methoxyphenyl)phenyl]hexan-3-one is sourced from PubChem (CID 68749359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).