1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone

C14H18ClNO2 — CID 82053056

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)CN1CCCC1
InChIInChI=1S/C14H18ClNO2/c1-10-7-14(18-2)11(8-12(10)15)13(17)9-16-5-3-4-6-16/h7-8H,3-6,9H2,1-2H3
InChIKeyUXIQGHFWJMMHQB-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.94
Rot. Bonds4

About 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone

1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone (PubChem CID 82053056) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
PubChem CID82053056
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
SMILESCOc1cc(C)c(Cl)cc1C(=O)CN1CCCC1
InChIInChI=1S/C14H18ClNO2/c1-10-7-14(18-2)11(8-12(10)15)13(17)9-16-5-3-4-6-16/h7-8H,3-6,9H2,1-2H3
InChIKeyUXIQGHFWJMMHQB-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-methoxy-4-methylphenyl)-piperidin-1-ylmethanone
CID 110762027
1-(5-chloro-2-ethoxy-4-methylphenyl)-2-morpholin-4-ylethanone
CID 82053093
3-amino-1-(5-chloro-2-methoxy-4-methylphenyl)propan-1-one
CID 82288095
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-2-piperidin-1-ylethanone
CID 82053751
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
4-methoxy-3-(2-piperidin-1-ylacetyl)benzoic acid
CID 82052295
1-(5-chloro-2-methoxy-4-methylphenyl)-3-(3,4-dimethylphenyl)propane-1,3-dione
CID 134867861
1-(2-methoxy-5-propan-2-ylphenyl)-2-piperidin-1-ylethanone
CID 82053961
2-chloro-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82048758
1-(2-bromo-4,5-dimethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83988263
2-(2,6-dimethylmorpholin-4-yl)-1-(2-methoxy-4,5-dimethylphenyl)ethanone
CID 82053854
(4-chloro-2-methoxy-5-methylphenyl)-cyclopropylmethanone;(5-chloro-2-methoxy-4-methylphenyl)-cyclopropylmethanone;ethane
CID 143337733

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone (CID 82053056) is 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone is COc1cc(C)c(Cl)cc1C(=O)CN1CCCC1.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone?
The InChIKey is UXIQGHFWJMMHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-7-14(18-2)11(8-12(10)15)13(17)9-16-5-3-4-6-16/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone?
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone has a molecular weight of 267.76 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82053056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).