1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone

C20H24O4 — CID 174724954

IUPAC1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone
SMILESCOc1cc(OC)c(C(C)=O)c(O)c1CCCc1ccc(C)cc1
InChIInChI=1S/C20H24O4/c1-13-8-10-15(11-9-13)6-5-7-16-17(23-3)12-18(24-4)19(14(2)21)20(16)22/h8-12,22H,5-7H2,1-4H3
InChIKeyWKZILEXIMYYXSO-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.10
Rot. Bonds7

About 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone

1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone (PubChem CID 174724954) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone
PubChem CID174724954
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone
SMILESCOc1cc(OC)c(C(C)=O)c(O)c1CCCc1ccc(C)cc1
InChIInChI=1S/C20H24O4/c1-13-8-10-15(11-9-13)6-5-7-16-17(23-3)12-18(24-4)19(14(2)21)20(16)22/h8-12,22H,5-7H2,1-4H3
InChIKeyWKZILEXIMYYXSO-UHFFFAOYSA-N
XLogP4.10
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone (CID 174724954) is 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone is COc1cc(OC)c(C(C)=O)c(O)c1CCCc1ccc(C)cc1.
What is the InChIKey of 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone?
The InChIKey is WKZILEXIMYYXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-13-8-10-15(11-9-13)6-5-7-16-17(23-3)12-18(24-4)19(14(2)21)20(16)22/h8-12,22H,5-7H2,1-4H3.
What are the key properties of 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone?
1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone has a molecular weight of 328.41 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4,6-dimethoxy-3-[3-(4-methylphenyl)propyl]phenyl]ethanone is sourced from PubChem (CID 174724954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).