quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate

C23H17NO3 — CID 10832034

IUPACquinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCc1cnc2ccccc2c1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H17NO3/c25-21-11-9-18(10-12-21)17-5-7-19(8-6-17)23(26)27-15-16-13-20-3-1-2-4-22(20)24-14-16/h1-14,25H,15H2
InChIKeyRPZHUPCEOKIMIJ-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.96
Rot. Bonds4

About quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate

quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 10832034) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Namequinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
PubChem CID10832034
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Namequinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OCc1cnc2ccccc2c1)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C23H17NO3/c25-21-11-9-18(10-12-21)17-5-7-19(8-6-17)23(26)27-15-16-13-20-3-1-2-4-22(20)24-14-16/h1-14,25H,15H2
InChIKeyRPZHUPCEOKIMIJ-UHFFFAOYSA-N
XLogP4.96
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-3-ylmethyl acetate
CID 101032812
prop-2-enyl quinoline-3-carboxylate
CID 54359165
(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7209518
(4-methoxyphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16577371
1-(4-quinolin-3-ylphenyl)propan-1-one
CID 23005158
(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
2-(4-hydroxyphenyl)-3-quinolin-3-ylprop-2-enamide
CID 54293245
4-(quinolin-3-ylmethoxy)aniline
CID 19733697
2-chloro-2-(4-hydroxyphenyl)-3-quinolin-3-ylpropanoyl chloride
CID 87121230
3-hydroxy-N-(quinolin-3-ylmethyl)benzamide
CID 110472397
2-(quinolin-3-ylmethoxycarbothioylamino)ethanesulfonic acid
CID 139325238
(4-pyrazol-1-ylphenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 16571182

Frequently Asked Questions

What is the IUPAC name of quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate (CID 10832034) is quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate is O=C(OCc1cnc2ccccc2c1)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is RPZHUPCEOKIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-21-11-9-18(10-12-21)17-5-7-19(8-6-17)23(26)27-15-16-13-20-3-1-2-4-22(20)24-14-16/h1-14,25H,15H2.
What are the key properties of quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate?
quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 355.39 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-3-ylmethyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 10832034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).