(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

C19H20ClNO3 — CID 122149684

IUPAC(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C19H20ClNO3/c20-17-10-16(6-7-18(17)22)19(23)21-9-8-15(11-21)13-24-12-14-4-2-1-3-5-14/h1-7,10,15,22H,8-9,11-13H2
InChIKeyGUTIHROSXGKDAH-UHFFFAOYSA-N
MW345.83 g/mol
LogP3.72
Rot. Bonds5

About (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone

(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 122149684) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
PubChem CID122149684
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Name(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(O)c(Cl)c1)N1CCC(COCc2ccccc2)C1
InChIInChI=1S/C19H20ClNO3/c20-17-10-16(6-7-18(17)22)19(23)21-9-8-15(11-21)13-24-12-14-4-2-1-3-5-14/h1-7,10,15,22H,8-9,11-13H2
InChIKeyGUTIHROSXGKDAH-UHFFFAOYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3-nitrophenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 119138273
(3,4-dimethoxyphenyl)-[3-(phenylmethoxymethyl)piperidin-1-yl]methanone
CID 90505153
3-(phenylmethoxymethyl)pyrrolidine-1-carboxamide
CID 130818239
5-[3-(phenylmethoxymethyl)pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119186829
(3-chloro-4-methylphenyl)-[(3R)-3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]methanone
CID 96568375
4-[3-oxo-3-[(3S)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]propyl]benzoic acid
CID 124702768
4-[3-oxo-3-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]propyl]benzoic acid
CID 124702763
(5-hydroxy-2-nitrophenyl)-[(3R)-3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 99801887
[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone
CID 126776714
1-(3-chloro-4-hydroxybenzoyl)pyrrolidine-3-carboxylic acid
CID 63006768
(3-chloro-4-hydroxyphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62918769
(5-amino-2-methylphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120636524

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone (CID 122149684) is (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(O)c(Cl)c1)N1CCC(COCc2ccccc2)C1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is GUTIHROSXGKDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO3/c20-17-10-16(6-7-18(17)22)19(23)21-9-8-15(11-21)13-24-12-14-4-2-1-3-5-14/h1-7,10,15,22H,8-9,11-13H2.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone?
(3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 345.83 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[3-(phenylmethoxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 122149684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).