(3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone

C13H12ClNO2 — CID 140971216

IUPAC(3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Cl)ccn2C)cc1
InChIInChI=1S/C13H12ClNO2/c1-15-8-7-11(14)12(15)13(16)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3
InChIKeyMVUZVNJTHRAUMT-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.92
Rot. Bonds3

About (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone

(3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 140971216) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone
PubChem CID140971216
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name(3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(Cl)ccn2C)cc1
InChIInChI=1S/C13H12ClNO2/c1-15-8-7-11(14)12(15)13(16)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3
InChIKeyMVUZVNJTHRAUMT-UHFFFAOYSA-N
XLogP2.92
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(5-chloro-6-methoxy-2-pyridinyl)-(4-methoxyphenyl)methanone
CID 58452562
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
[1-(2-chloroethyl)pyrrol-2-yl]-(4-methoxyphenyl)methanone
CID 19914076
[4-[4-(4-methoxybenzoyl)phenoxy]phenyl] hypoiodite
CID 118689697
2-chloro-5-(4-methoxybenzoyl)benzenesulfonyl chloride
CID 58107445
(5-chloro-2-hydroxy-4-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 518799
(3,4-dichlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 146007325

Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone (CID 140971216) is (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2c(Cl)ccn2C)cc1.
What is the InChIKey of (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is MVUZVNJTHRAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-15-8-7-11(14)12(15)13(16)9-3-5-10(17-2)6-4-9/h3-8H,1-2H3.
What are the key properties of (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone?
(3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 249.70 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-methylpyrrol-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 140971216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).