(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate

C22H20O3 — CID 175494849

IUPAC(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate
SMILESCCCC(OC(=O)c1cccc2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C22H20O3/c1-2-9-20(21(23)17-11-4-3-5-12-17)25-22(24)19-15-8-13-16-10-6-7-14-18(16)19/h3-8,10-15,20H,2,9H2,1H3
InChIKeyLMPVUQUOTVPVSC-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.05
Rot. Bonds6

About (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate

(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate (PubChem CID 175494849) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate
PubChem CID175494849
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate
SMILESCCCC(OC(=O)c1cccc2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C22H20O3/c1-2-9-20(21(23)17-11-4-3-5-12-17)25-22(24)19-15-8-13-16-10-6-7-14-18(16)19/h3-8,10-15,20H,2,9H2,1H3
InChIKeyLMPVUQUOTVPVSC-UHFFFAOYSA-N
XLogP5.05
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-oxo-1-phenylpentan-2-yl) thiophene-2-carboxylate
CID 175494828
1-hydroxyethyl naphthalene-1-carboxylate
CID 70181591
octan-2-yl naphthalene-1-carboxylate
CID 152706157
(2R,4S)-1-naphthalen-1-yl-2,4-diphenoxy-5-phenylpentane-1,5-dione
CID 134836560
(1-oxo-1-phenylbutan-2-yl) benzoate
CID 102496399
[(E)-2-(naphthalene-1-carbonyloxy)-1,2-diphenylethenyl] naphthalene-1-carboxylate
CID 134263043
(1-oxo-1-phenylpentan-2-yl) 2-[4-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]-8-methylquinoline-4-carboxylate
CID 4564884
(1-oxo-1-phenylpentan-2-yl) 2-[4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)phenyl]-8-methylquinoline-4-carboxylate
CID 5199381
(1-oxo-1-phenylpentan-2-yl) 6-chloro-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]quinoline-4-carboxylate
CID 3268232
but-3-yn-2-yl naphthalene-1-carboxylate
CID 20569047
2-methyl-1-naphthalen-1-yldecan-1-one
CID 90112033
2,2-diethoxy-1-naphthalen-1-ylethanone
CID 79495258

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate?
The IUPAC name of (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate (CID 175494849) is (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate.
What is the SMILES notation for (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate?
The canonical SMILES for (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate is CCCC(OC(=O)c1cccc2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate?
The InChIKey is LMPVUQUOTVPVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-9-20(21(23)17-11-4-3-5-12-17)25-22(24)19-15-8-13-16-10-6-7-14-18(16)19/h3-8,10-15,20H,2,9H2,1H3.
What are the key properties of (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate?
(1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpentan-2-yl) naphthalene-1-carboxylate is sourced from PubChem (CID 175494849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).