1-(3-methoxyphenyl)-3-phenylpentan-1-one

C18H20O2 — CID 72785339

IUPAC1-(3-methoxyphenyl)-3-phenylpentan-1-one
SMILESCCC(CC(=O)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-14(15-8-5-4-6-9-15)13-18(19)16-10-7-11-17(12-16)20-2/h4-12,14H,3,13H2,1-2H3
InChIKeyDNQHFXNDQXPMIE-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.46
Rot. Bonds6

About 1-(3-methoxyphenyl)-3-phenylpentan-1-one

1-(3-methoxyphenyl)-3-phenylpentan-1-one (PubChem CID 72785339) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-phenylpentan-1-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-phenylpentan-1-one
PubChem CID72785339
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(3-methoxyphenyl)-3-phenylpentan-1-one
SMILESCCC(CC(=O)c1cccc(OC)c1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-3-14(15-8-5-4-6-9-15)13-18(19)16-10-7-11-17(12-16)20-2/h4-12,14H,3,13H2,1-2H3
InChIKeyDNQHFXNDQXPMIE-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
5-(3-methoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 2759683
3-hydroxy-3-iodo-1-(3-methoxyphenyl)propan-1-one
CID 134358093
4-[hydroxy(oxido)amino]-1-(3-methoxyphenyl)-4-methyl-3-phenylpentan-1-one
CID 21140882
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525
3-amino-1-(3-methoxyphenyl)-4-methylpentan-1-one
CID 116606296
3-amino-1-(3-methoxyphenyl)hexan-1-one
CID 116607861
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
CID 102486648
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-3-phenylpentane-1,5-dione
CID 57258892

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-phenylpentan-1-one?
The IUPAC name of 1-(3-methoxyphenyl)-3-phenylpentan-1-one (CID 72785339) is 1-(3-methoxyphenyl)-3-phenylpentan-1-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-phenylpentan-1-one?
The canonical SMILES for 1-(3-methoxyphenyl)-3-phenylpentan-1-one is CCC(CC(=O)c1cccc(OC)c1)c1ccccc1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-phenylpentan-1-one?
The InChIKey is DNQHFXNDQXPMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-14(15-8-5-4-6-9-15)13-18(19)16-10-7-11-17(12-16)20-2/h4-12,14H,3,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-3-phenylpentan-1-one?
1-(3-methoxyphenyl)-3-phenylpentan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-phenylpentan-1-one is sourced from PubChem (CID 72785339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).