3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one

C19H22O3 — CID 82185105

IUPAC3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
SMILESCCCOc1c(CCC(=O)c2ccccc2)cccc1OC
InChIInChI=1S/C19H22O3/c1-3-14-22-19-16(10-7-11-18(19)21-2)12-13-17(20)15-8-5-4-6-9-15/h4-11H,3,12-14H2,1-2H3
InChIKeyHCOKOIDPZUWNMG-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.30
Rot. Bonds8

About 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one

3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one (PubChem CID 82185105) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
PubChem CID82185105
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one
SMILESCCCOc1c(CCC(=O)c2ccccc2)cccc1OC
InChIInChI=1S/C19H22O3/c1-3-14-22-19-16(10-7-11-18(19)21-2)12-13-17(20)15-8-5-4-6-9-15/h4-11H,3,12-14H2,1-2H3
InChIKeyHCOKOIDPZUWNMG-UHFFFAOYSA-N
XLogP4.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(2,3-dipropoxyphenyl)-3-(3-methoxy-2,5-dipropoxyphenyl)propan-1-one
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3-(5-fluoro-2-methoxyphenyl)-1-phenylpropan-1-one
CID 82782955
3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
3-(2-methoxy-3,4-dimethylphenyl)-1-phenylpropan-1-one
CID 103434291
3-[3-methoxy-2-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]phenyl]propanoic acid
CID 20994175
(Z)-2-(4-methoxyphenyl)-3-(3-methoxy-2-propoxyphenyl)prop-2-enoic acid
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1-phenylbutan-1-one
CID 10315
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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one (CID 82185105) is 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one is CCCOc1c(CCC(=O)c2ccccc2)cccc1OC.
What is the InChIKey of 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one?
The InChIKey is HCOKOIDPZUWNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-14-22-19-16(10-7-11-18(19)21-2)12-13-17(20)15-8-5-4-6-9-15/h4-11H,3,12-14H2,1-2H3.
What are the key properties of 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one?
3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one has a molecular weight of 298.38 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-2-propoxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 82185105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).