benzyl 4-chloro-2-phenylmethoxybenzoate

C21H17ClO3 — CID 66989997

IUPACbenzyl 4-chloro-2-phenylmethoxybenzoate
SMILESO=C(OCc1ccccc1)c1ccc(Cl)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClO3/c22-18-11-12-19(21(23)25-15-17-9-5-2-6-10-17)20(13-18)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyICEWFRHHJRERSL-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.28
Rot. Bonds6

About benzyl 4-chloro-2-phenylmethoxybenzoate

benzyl 4-chloro-2-phenylmethoxybenzoate (PubChem CID 66989997) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is benzyl 4-chloro-2-phenylmethoxybenzoate.

Molecular Properties

Compound Namebenzyl 4-chloro-2-phenylmethoxybenzoate
PubChem CID66989997
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Namebenzyl 4-chloro-2-phenylmethoxybenzoate
SMILESO=C(OCc1ccccc1)c1ccc(Cl)cc1OCc1ccccc1
InChIInChI=1S/C21H17ClO3/c22-18-11-12-19(21(23)25-15-17-9-5-2-6-10-17)20(13-18)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2
InChIKeyICEWFRHHJRERSL-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-benzylsulfanyl-2-phenylmethoxybenzoate
CID 10813010
benzyl 4-bromo-5-fluoro-2-phenylmethoxybenzoate
CID 122458122
(4-chlorophenyl)methyl 2,4-dichlorobenzoate
CID 962047
benzyl 2-ethoxy-4-iodobenzoate
CID 154376302
benzyl 2-phenylmethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 23090759
4-chloro-2-[(4-cyanophenyl)methoxy]benzamide
CID 47467976
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
4-chloro-2-(2-phenylethoxy)benzoic acid
CID 61379685
benzyl 4-bromo-2-(2-methoxyethoxy)benzoate
CID 162393059
(4-phenylphenyl)methyl 5-chloro-2-methoxybenzoate
CID 7235683
pyridin-2-ylmethyl 4-chloro-2-methoxybenzoate
CID 60598324

Frequently Asked Questions

What is the IUPAC name of benzyl 4-chloro-2-phenylmethoxybenzoate?
The IUPAC name of benzyl 4-chloro-2-phenylmethoxybenzoate (CID 66989997) is benzyl 4-chloro-2-phenylmethoxybenzoate.
What is the SMILES notation for benzyl 4-chloro-2-phenylmethoxybenzoate?
The canonical SMILES for benzyl 4-chloro-2-phenylmethoxybenzoate is O=C(OCc1ccccc1)c1ccc(Cl)cc1OCc1ccccc1.
What is the InChIKey of benzyl 4-chloro-2-phenylmethoxybenzoate?
The InChIKey is ICEWFRHHJRERSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-18-11-12-19(21(23)25-15-17-9-5-2-6-10-17)20(13-18)24-14-16-7-3-1-4-8-16/h1-13H,14-15H2.
What are the key properties of benzyl 4-chloro-2-phenylmethoxybenzoate?
benzyl 4-chloro-2-phenylmethoxybenzoate has a molecular weight of 352.82 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-chloro-2-phenylmethoxybenzoate is sourced from PubChem (CID 66989997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).