[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol

C12H11Cl2NO — CID 66398066

IUPAC[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H11Cl2NO/c13-11-1-2-12(14)10(5-11)7-15-4-3-9(6-15)8-16/h1-6,16H,7-8H2
InChIKeyRNCUKSCFMBHHIC-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.34
Rot. Bonds3

About [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol

[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol (PubChem CID 66398066) has the molecular formula C12H11Cl2NO and a molecular weight of 256.13 g/mol. Its IUPAC name is [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
PubChem CID66398066
Molecular FormulaC12H11Cl2NO
Molecular Weight256.13 g/mol
Exact Mass255.02
IUPAC Name[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C12H11Cl2NO/c13-11-1-2-12(14)10(5-11)7-15-4-3-9(6-15)8-16/h1-6,16H,7-8H2
InChIKeyRNCUKSCFMBHHIC-UHFFFAOYSA-N
XLogP3.34
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,4-dichlorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400580
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylmethanamine
CID 66403663
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]ethanone
CID 79106517
[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]propan-1-amine
CID 79104615
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrol-3-yl]methanamine
CID 102617081
[1-[(2,5-dichlorophenyl)methyl]indol-3-yl]methanol
CID 66399928
[1-[(2,5-dichlorophenyl)methyl]triazol-4-yl]methanol
CID 65318810
1-[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]-N-methylbutan-1-amine
CID 79110166
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-3-yl]methanamine
CID 79580932
4-[(2,5-dichlorophenyl)methyl]phenol
CID 21272497
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 66399745

Frequently Asked Questions

What is the IUPAC name of [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol (CID 66398066) is [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol is OCc1ccn(Cc2cc(Cl)ccc2Cl)c1.
What is the InChIKey of [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol?
The InChIKey is RNCUKSCFMBHHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO/c13-11-1-2-12(14)10(5-11)7-15-4-3-9(6-15)8-16/h1-6,16H,7-8H2.
What are the key properties of [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol?
[1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol has a molecular weight of 256.13 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,5-dichlorophenyl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).