[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone

C17H17NO2 — CID 53218719

IUPAC[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(-c2cccc(O)c2)c1)N1CCCC1
InChIInChI=1S/C17H17NO2/c19-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17(20)18-9-1-2-10-18/h3-8,11-12,19H,1-2,9-10H2
InChIKeyGPDYJASMYNJCKT-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.30
Rot. Bonds2

About [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone

[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 53218719) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID53218719
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Name[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(-c2cccc(O)c2)c1)N1CCCC1
InChIInChI=1S/C17H17NO2/c19-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17(20)18-9-1-2-10-18/h3-8,11-12,19H,1-2,9-10H2
InChIKeyGPDYJASMYNJCKT-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
azepan-1-yl-[3-(4-methylphenyl)phenyl]methanone
CID 126484488
[[3-[3-(pyrrolidine-1-carbonyl)phenyl]benzoyl]amino]astatine
CID 143483937
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
azepan-1-yl-[3-(3,4-dimethylphenyl)phenyl]methanone
CID 126484493
2-[3-[3-(pyrrolidine-1-carbonyl)phenyl]phenyl]acetic acid
CID 74892517
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
(4-chlorophenyl)-[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544821
azepan-1-yl-[3-(3-fluoro-4-methylphenyl)phenyl]methanone
CID 126484495
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413

Frequently Asked Questions

What is the IUPAC name of [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone (CID 53218719) is [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(-c2cccc(O)c2)c1)N1CCCC1.
What is the InChIKey of [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is GPDYJASMYNJCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c19-16-8-4-6-14(12-16)13-5-3-7-15(11-13)17(20)18-9-1-2-10-18/h3-8,11-12,19H,1-2,9-10H2.
What are the key properties of [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone?
[3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-hydroxyphenyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53218719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).