4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one

C19H22O3 — CID 10756507

IUPAC4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one
SMILESCOc1ccccc1CC(CC(=O)Cc1ccccc1)OC
InChIInChI=1S/C19H22O3/c1-21-18(13-16-10-6-7-11-19(16)22-2)14-17(20)12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3
InChIKeyWZHOSPLFSBOPAC-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.45
Rot. Bonds8

About 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one

4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one (PubChem CID 10756507) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one.

Molecular Properties

Compound Name4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one
PubChem CID10756507
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one
SMILESCOc1ccccc1CC(CC(=O)Cc1ccccc1)OC
InChIInChI=1S/C19H22O3/c1-21-18(13-16-10-6-7-11-19(16)22-2)14-17(20)12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3
InChIKeyWZHOSPLFSBOPAC-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one?
The IUPAC name of 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one (CID 10756507) is 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one.
What is the SMILES notation for 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one?
The canonical SMILES for 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one is COc1ccccc1CC(CC(=O)Cc1ccccc1)OC.
What is the InChIKey of 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one?
The InChIKey is WZHOSPLFSBOPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-21-18(13-16-10-6-7-11-19(16)22-2)14-17(20)12-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3.
What are the key properties of 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one?
4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one has a molecular weight of 298.38 g/mol, XLogP of 3.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(2-methoxyphenyl)-1-phenylpentan-2-one is sourced from PubChem (CID 10756507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).