(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone

C19H20ClNO4 — CID 42938983

IUPAC(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1OC
InChIInChI=1S/C19H20ClNO4/c1-24-17-8-6-12(11-18(17)25-2)15-4-3-9-21(15)19(23)13-5-7-16(22)14(20)10-13/h5-8,10-11,15,22H,3-4,9H2,1-2H3
InChIKeyCYZQQJYZXBEEFO-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.04
Rot. Bonds4

About (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone

(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (PubChem CID 42938983) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
PubChem CID42938983
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC Name(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1OC
InChIInChI=1S/C19H20ClNO4/c1-24-17-8-6-12(11-18(17)25-2)15-4-3-9-21(15)19(23)13-5-7-16(22)14(20)10-13/h5-8,10-11,15,22H,3-4,9H2,1-2H3
InChIKeyCYZQQJYZXBEEFO-UHFFFAOYSA-N
XLogP4.04
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 18147684
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 42936298
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135
[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methylurea
CID 42938821
N-[[4-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 18154932
[1-(4-chlorobenzoyl)piperidin-3-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 134024017
[2-(4-fluorophenyl)piperidin-1-yl]-(4-hydroxy-3-methoxyphenyl)methanone
CID 70772344
2-[2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120974677
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 94618354
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 29357961
[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 56810913
(4-butoxy-3-methoxyphenyl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 112766788

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone (CID 42938983) is (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is COc1ccc(C2CCCN2C(=O)c2ccc(O)c(Cl)c2)cc1OC.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
The InChIKey is CYZQQJYZXBEEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-24-17-8-6-12(11-18(17)25-2)15-4-3-9-21(15)19(23)13-5-7-16(22)14(20)10-13/h5-8,10-11,15,22H,3-4,9H2,1-2H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone?
(3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone has a molecular weight of 361.83 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 42938983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).