1-methoxy-1,5-diphenylpentan-2-one

C18H20O2 — CID 116751355

IUPAC1-methoxy-1,5-diphenylpentan-2-one
SMILESCOC(C(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(16-12-6-3-7-13-16)17(19)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13,18H,8,11,14H2,1H3
InChIKeyMKLCYHRJMGIEPR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.97
Rot. Bonds7

About 1-methoxy-1,5-diphenylpentan-2-one

1-methoxy-1,5-diphenylpentan-2-one (PubChem CID 116751355) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-methoxy-1,5-diphenylpentan-2-one.

Molecular Properties

Compound Name1-methoxy-1,5-diphenylpentan-2-one
PubChem CID116751355
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-methoxy-1,5-diphenylpentan-2-one
SMILESCOC(C(=O)CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(16-12-6-3-7-13-16)17(19)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13,18H,8,11,14H2,1H3
InChIKeyMKLCYHRJMGIEPR-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-1-phenylhept-6-en-2-one
CID 116751531
5-methoxy-1-phenylheptan-4-one
CID 116707095
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563
CID 59883683
CID 59883683
methyl 3-oxo-6-phenylhexanoate
CID 12701554
4-[3-(1-methoxyethyl)phenyl]butanoic acid
CID 117108370
3-amino-1-methoxy-7-phenylheptan-4-one
CID 116567219
(2R)-N-(4-butylphenyl)-2-methoxy-2-phenylacetamide
CID 2207661
2-methyl-7-phenylheptan-3-one
CID 13129845
2-methyl-9-phenylnonan-3-one
CID 58366233
5-phenylpentan-2-one
CID 16701
[(2R)-1-[(2-methoxy-2-phenylacetyl)amino]-4-phenylbutan-2-yl] 2-methoxy-2-phenylacetate
CID 139251059

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-1,5-diphenylpentan-2-one?
The IUPAC name of 1-methoxy-1,5-diphenylpentan-2-one (CID 116751355) is 1-methoxy-1,5-diphenylpentan-2-one.
What is the SMILES notation for 1-methoxy-1,5-diphenylpentan-2-one?
The canonical SMILES for 1-methoxy-1,5-diphenylpentan-2-one is COC(C(=O)CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1-methoxy-1,5-diphenylpentan-2-one?
The InChIKey is MKLCYHRJMGIEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-18(16-12-6-3-7-13-16)17(19)14-8-11-15-9-4-2-5-10-15/h2-7,9-10,12-13,18H,8,11,14H2,1H3.
What are the key properties of 1-methoxy-1,5-diphenylpentan-2-one?
1-methoxy-1,5-diphenylpentan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-1,5-diphenylpentan-2-one is sourced from PubChem (CID 116751355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).