(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate

C21H22O4 — CID 174942963

IUPAC(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)OC1CCCCC1
InChIInChI=1S/C21H22O4/c22-20(25-17-11-5-2-6-12-17)15-24-21(23)19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2
InChIKeyMOHGDPSLVKIYBB-UHFFFAOYSA-N
MW338.40 g/mol
LogP4.39
Rot. Bonds5

About (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate

(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate (PubChem CID 174942963) has the molecular formula C21H22O4 and a molecular weight of 338.40 g/mol. Its IUPAC name is (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate.

Molecular Properties

Compound Name(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate
PubChem CID174942963
Molecular FormulaC21H22O4
Molecular Weight338.40 g/mol
Exact Mass338.15
IUPAC Name(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate
SMILESO=C(COC(=O)c1ccccc1-c1ccccc1)OC1CCCCC1
InChIInChI=1S/C21H22O4/c22-20(25-17-11-5-2-6-12-17)15-24-21(23)19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2
InChIKeyMOHGDPSLVKIYBB-UHFFFAOYSA-N
XLogP4.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclopentyl (2-phenylphenyl) carbonate
CID 121311469
2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
CID 23024567
(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183
cyclohexyl 2-aminobenzoate
CID 24510
cyclooctyl 2-(4-methyl-5-phenyl-1,3-oxazol-2-yl)benzoate
CID 54365561
[2-(2-methoxyanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7554634
dicyclohexyl 2-phenylpropanedioate
CID 130210180
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
cyclohexyl 2-[(2-amino-4-phenylbenzoyl)amino]acetate
CID 69349060
cycloheptyl 2-anilinoacetate
CID 61303915
2-O-cyclohexyl 1-O-undecyl benzene-1,2-dicarboxylate
CID 174739456

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate?
The IUPAC name of (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate (CID 174942963) is (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate.
What is the SMILES notation for (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate?
The canonical SMILES for (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate is O=C(COC(=O)c1ccccc1-c1ccccc1)OC1CCCCC1.
What is the InChIKey of (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate?
The InChIKey is MOHGDPSLVKIYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O4/c22-20(25-17-11-5-2-6-12-17)15-24-21(23)19-14-8-7-13-18(19)16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2.
What are the key properties of (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate?
(2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate has a molecular weight of 338.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexyloxy-2-oxoethyl) 2-phenylbenzoate is sourced from PubChem (CID 174942963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).