2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate

C21H17ClO3 — CID 22287065

IUPAC2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCCc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H17ClO3/c22-19-9-1-15(2-10-19)13-14-25-21(24)18-5-3-16(4-6-18)17-7-11-20(23)12-8-17/h1-12,23H,13-14H2
InChIKeyNJEFVVZCFPPUQZ-UHFFFAOYSA-N
MW352.82 g/mol
LogP5.11
Rot. Bonds5

About 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate

2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 22287065) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
PubChem CID22287065
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCCc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C21H17ClO3/c22-19-9-1-15(2-10-19)13-14-25-21(24)18-5-3-16(4-6-18)17-7-11-20(23)12-8-17/h1-12,23H,13-14H2
InChIKeyNJEFVVZCFPPUQZ-UHFFFAOYSA-N
XLogP5.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-(4-hydroxyphenyl)ethyl 4-hydroxybenzoate
CID 162013248
2-phenylethyl 4-hydroxybenzoate
CID 11977778
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 18289074
3-phenylpropyl 4-chlorobenzoate
CID 576426
2-(4-chlorophenyl)ethyl carbamate
CID 90103604
2-[4-[2-(4-hydroxyphenyl)ethyl]phenyl]ethyl 4-(3-pentoxyphenyl)benzoate
CID 134446759
2-(2-methylprop-2-enoyloxy)ethyl 4-(4-hydroxyphenyl)benzoate
CID 89122297
2-sulfanylethyl 4-chlorobenzoate
CID 20559900
2-(4-prop-1-en-2-ylphenyl)ethyl 4-prop-1-en-2-ylbenzoate
CID 162070646
6-(4-hydroxybenzoyl)oxyhexyl 4-hydroxybenzoate
CID 19881496
10-(4-hydroxybenzoyl)oxydecyl 4-hydroxybenzoate
CID 3896266
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate (CID 22287065) is 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate is O=C(OCCc1ccc(Cl)cc1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is NJEFVVZCFPPUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClO3/c22-19-9-1-15(2-10-19)13-14-25-21(24)18-5-3-16(4-6-18)17-7-11-20(23)12-8-17/h1-12,23H,13-14H2.
What are the key properties of 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate?
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 352.82 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 22287065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).