[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate

C21H17ClO3 — CID 7209531

IUPAC[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H17ClO3/c1-14(19-4-2-3-5-20(19)22)25-21(24)17-8-6-15(7-9-17)16-10-12-18(23)13-11-16/h2-14,23H,1H3/t14-/m1/s1
InChIKeyNQOYHAUWEZVCAZ-CQSZACIVSA-N
MW352.82 g/mol
LogP5.63
Rot. Bonds4

About [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate

[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate (PubChem CID 7209531) has the molecular formula C21H17ClO3 and a molecular weight of 352.82 g/mol. Its IUPAC name is [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
PubChem CID7209531
Molecular FormulaC21H17ClO3
Molecular Weight352.82 g/mol
Exact Mass352.09
IUPAC Name[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate
SMILESC[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1Cl
InChIInChI=1S/C21H17ClO3/c1-14(19-4-2-3-5-20(19)22)25-21(24)17-8-6-15(7-9-17)16-10-12-18(23)13-11-16/h2-14,23H,1H3/t14-/m1/s1
InChIKeyNQOYHAUWEZVCAZ-CQSZACIVSA-N
XLogP5.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.82
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)ethyl 4-methylsulfinylbenzoate
CID 18192610
[(1R)-1-(2-chlorophenyl)ethyl] 4-nitrobenzoate
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[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209540
1-(2-chlorophenoxy)ethyl 4-hydroxybenzoate
CID 174499902
[(1R)-1-(2-chlorophenyl)ethyl] 3,5-diacetamidobenzoate
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1-(2-chlorophenyl)ethyl 1,3-benzodioxole-5-carboxylate
CID 18081790
[(1S)-1-(2-chlorophenyl)ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7841856
[(1S)-1-phenylethyl] 4-[4-[4-[(1S)-1-phenylethoxy]carbonylphenyl]phenyl]benzoate
CID 67736899
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1R)-1-(2-chlorophenyl)ethyl] 3-chloro-4,5-dimethoxybenzoate
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1-benzoyloxyethyl 4-hydroxybenzoate
CID 22257585

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate (CID 7209531) is [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate is C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)c1ccccc1Cl.
What is the InChIKey of [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate?
The InChIKey is NQOYHAUWEZVCAZ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H17ClO3/c1-14(19-4-2-3-5-20(19)22)25-21(24)17-8-6-15(7-9-17)16-10-12-18(23)13-11-16/h2-14,23H,1H3/t14-/m1/s1.
What are the key properties of [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate?
[(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate has a molecular weight of 352.82 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-chlorophenyl)ethyl] 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 7209531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).