tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate

C24H23ClO3 — CID 16664137

IUPACtert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(OCc2ccccc2)ccc1-c1ccccc1Cl
InChIInChI=1S/C24H23ClO3/c1-24(2,3)28-23(26)21-15-18(27-16-17-9-5-4-6-10-17)13-14-19(21)20-11-7-8-12-22(20)25/h4-15H,16H2,1-3H3
InChIKeyFPOAJTZQGLLUAF-UHFFFAOYSA-N
MW394.90 g/mol
LogP6.54
Rot. Bonds5

About tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate

tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate (PubChem CID 16664137) has the molecular formula C24H23ClO3 and a molecular weight of 394.90 g/mol. Its IUPAC name is tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate.

Molecular Properties

Compound Nametert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
PubChem CID16664137
Molecular FormulaC24H23ClO3
Molecular Weight394.90 g/mol
Exact Mass394.13
IUPAC Nametert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate
SMILESCC(C)(C)OC(=O)c1cc(OCc2ccccc2)ccc1-c1ccccc1Cl
InChIInChI=1S/C24H23ClO3/c1-24(2,3)28-23(26)21-15-18(27-16-17-9-5-4-6-10-17)13-14-19(21)20-11-7-8-12-22(20)25/h4-15H,16H2,1-3H3
InChIKeyFPOAJTZQGLLUAF-UHFFFAOYSA-N
XLogP6.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenyl)-5-phenylmethoxybenzamide
CID 16663789
tert-butyl 4-(2-formyl-4-phenylmethoxyphenyl)benzoate
CID 178183478
tert-butyl 2-phenylmethoxy-4-propanoylbenzoate
CID 70815239
ethane;4-phenylmethoxyphthalic acid
CID 90802135
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
3-[2-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylmethoxycarbonylphenyl]pyridine-2-carboxylic acid
CID 59095815
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494
3-O-tert-butyl 1-O-propyl 4-(2-chloro-6-phenylmethoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 159657677
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
tert-butyl 2-(N-(2,6-dichlorobenzoyl)-3-phenylmethoxyanilino)acetate
CID 59029176

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate?
The IUPAC name of tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate (CID 16664137) is tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate.
What is the SMILES notation for tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate?
The canonical SMILES for tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate is CC(C)(C)OC(=O)c1cc(OCc2ccccc2)ccc1-c1ccccc1Cl.
What is the InChIKey of tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate?
The InChIKey is FPOAJTZQGLLUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClO3/c1-24(2,3)28-23(26)21-15-18(27-16-17-9-5-4-6-10-17)13-14-19(21)20-11-7-8-12-22(20)25/h4-15H,16H2,1-3H3.
What are the key properties of tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate?
tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate has a molecular weight of 394.90 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-chlorophenyl)-5-phenylmethoxybenzoate is sourced from PubChem (CID 16664137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).