(1-phenacylcyclopropyl) benzoate

C18H16O3 — CID 10660387

IUPAC(1-phenacylcyclopropyl) benzoate
SMILESO=C(CC1(OC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H16O3/c19-16(14-7-3-1-4-8-14)13-18(11-12-18)21-17(20)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyUUHVIPBMEHYETC-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.65
Rot. Bonds5

About (1-phenacylcyclopropyl) benzoate

(1-phenacylcyclopropyl) benzoate (PubChem CID 10660387) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1-phenacylcyclopropyl) benzoate.

Molecular Properties

Compound Name(1-phenacylcyclopropyl) benzoate
PubChem CID10660387
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(1-phenacylcyclopropyl) benzoate
SMILESO=C(CC1(OC(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C18H16O3/c19-16(14-7-3-1-4-8-14)13-18(11-12-18)21-17(20)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyUUHVIPBMEHYETC-UHFFFAOYSA-N
XLogP3.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylcyclopropyl) benzoate
CID 14416714
1-benzoyloxycyclopropane-1-carboxylic acid
CID 170565634
2-(1-methoxy-4-methylcyclohexyl)-1-phenylethanone
CID 71409518
(4-benzoyloxydithiolan-4-yl) benzoate
CID 10291296
(1-carbonochloridoylcyclopentyl) benzoate
CID 125471954
(2-oxo-1-phenacylacenaphthylen-1-yl) benzoate
CID 10862392
1-phenacylcyclopentane-1-sulfonic acid
CID 161345529
2-(1-nitrocyclopentyl)-1-phenylethanone
CID 163213502
(1-cyclohexylcyclohexyl) benzoate
CID 54286012
(2,2-dibromo-1-methylcyclopropyl) benzoate
CID 134894705
1-(benzoyloxymethyl)cyclopropane-1-carboxylic acid
CID 174589063
(1-methylcyclopropyl)methyl benzoate
CID 10465127

Frequently Asked Questions

What is the IUPAC name of (1-phenacylcyclopropyl) benzoate?
The IUPAC name of (1-phenacylcyclopropyl) benzoate (CID 10660387) is (1-phenacylcyclopropyl) benzoate.
What is the SMILES notation for (1-phenacylcyclopropyl) benzoate?
The canonical SMILES for (1-phenacylcyclopropyl) benzoate is O=C(CC1(OC(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (1-phenacylcyclopropyl) benzoate?
The InChIKey is UUHVIPBMEHYETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c19-16(14-7-3-1-4-8-14)13-18(11-12-18)21-17(20)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of (1-phenacylcyclopropyl) benzoate?
(1-phenacylcyclopropyl) benzoate has a molecular weight of 280.32 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenacylcyclopropyl) benzoate is sourced from PubChem (CID 10660387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).