(4-cyanophenyl)methyl 4-hydroxybenzoate

C15H11NO3 — CID 2465166

IUPAC(4-cyanophenyl)methyl 4-hydroxybenzoate
SMILESN#Cc1ccc(COC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H11NO3/c16-9-11-1-3-12(4-2-11)10-19-15(18)13-5-7-14(17)8-6-13/h1-8,17H,10H2
InChIKeyULWHYOBROVJRQH-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.62
Rot. Bonds3

About (4-cyanophenyl)methyl 4-hydroxybenzoate

(4-cyanophenyl)methyl 4-hydroxybenzoate (PubChem CID 2465166) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (4-cyanophenyl)methyl 4-hydroxybenzoate.

Molecular Properties

Compound Name(4-cyanophenyl)methyl 4-hydroxybenzoate
PubChem CID2465166
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(4-cyanophenyl)methyl 4-hydroxybenzoate
SMILESN#Cc1ccc(COC(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H11NO3/c16-9-11-1-3-12(4-2-11)10-19-15(18)13-5-7-14(17)8-6-13/h1-8,17H,10H2
InChIKeyULWHYOBROVJRQH-UHFFFAOYSA-N
XLogP2.62
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-cyanophenyl)methyl 4-(hydroxymethyl)benzoate
CID 2637507
(4-chlorophenyl)methyl 4-cyanobenzoate
CID 2592542
(4-cyanophenyl)methyl 4-tert-butylbenzoate
CID 3961953
(4-cyanophenyl)methyl 1-oxidopyridin-1-ium-4-carboxylate
CID 7834028
(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
(4-cyanophenyl)methyl 3-amino-4-methylbenzoate
CID 60665494
cyanomethyl 4-cyanobenzoate
CID 147259846
(4-cyanophenyl)methyl 3-methylbenzoate
CID 2563042
(4-cyanophenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2673301
ethyl 4-(azanylidyne(113C)methyl)benzoate
CID 10442221
(4-cyanophenyl)methyl 4-(benzimidazol-1-yl)benzoate
CID 4792894
(4-cyanophenyl)methyl 3-bromo-4-methoxybenzoate
CID 8875657

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl)methyl 4-hydroxybenzoate?
The IUPAC name of (4-cyanophenyl)methyl 4-hydroxybenzoate (CID 2465166) is (4-cyanophenyl)methyl 4-hydroxybenzoate.
What is the SMILES notation for (4-cyanophenyl)methyl 4-hydroxybenzoate?
The canonical SMILES for (4-cyanophenyl)methyl 4-hydroxybenzoate is N#Cc1ccc(COC(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of (4-cyanophenyl)methyl 4-hydroxybenzoate?
The InChIKey is ULWHYOBROVJRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-9-11-1-3-12(4-2-11)10-19-15(18)13-5-7-14(17)8-6-13/h1-8,17H,10H2.
What are the key properties of (4-cyanophenyl)methyl 4-hydroxybenzoate?
(4-cyanophenyl)methyl 4-hydroxybenzoate has a molecular weight of 253.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl)methyl 4-hydroxybenzoate is sourced from PubChem (CID 2465166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).