2-chloro-4-(pyrrolidin-1-ylmethyl)phenol

C11H14ClNO — CID 78960004

IUPAC2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
SMILESOc1ccc(CN2CCCC2)cc1Cl
InChIInChI=1S/C11H14ClNO/c12-10-7-9(3-4-11(10)14)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKeyDIQSLLUSEPJWDA-UHFFFAOYSA-N
MW211.69 g/mol
LogP2.64
Rot. Bonds2

About 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol

2-chloro-4-(pyrrolidin-1-ylmethyl)phenol (PubChem CID 78960004) has the molecular formula C11H14ClNO and a molecular weight of 211.69 g/mol. Its IUPAC name is 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
PubChem CID78960004
Molecular FormulaC11H14ClNO
Molecular Weight211.69 g/mol
Exact Mass211.08
IUPAC Name2-chloro-4-(pyrrolidin-1-ylmethyl)phenol
SMILESOc1ccc(CN2CCCC2)cc1Cl
InChIInChI=1S/C11H14ClNO/c12-10-7-9(3-4-11(10)14)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2
InChIKeyDIQSLLUSEPJWDA-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.69
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-(piperidin-1-ylmethyl)phenol
CID 117221593
2-chloro-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)phenol
CID 82980522
2-chloro-4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenol
CID 82979240
methyl 2-[4-[(3-chloro-4-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]acetate
CID 84592690
2-chloro-4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]phenol
CID 82980138
2-chloro-4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenol
CID 82981318
2-chloro-4-[[4-methyl-4-(methylamino)piperidin-1-yl]methyl]phenol
CID 113282904
2-chloro-4-(3,9-diazaspiro[5.6]dodecan-9-ylmethyl)phenol;dihydrochloride
CID 154885693
4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
2-amino-4-(azepan-1-ylmethyl)phenol;dihydrobromide
CID 47003390
2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82974406
[3-chloro-4-(hydroxymethyl)phenyl]methanol;[2-chloro-4-(pyrrolidin-1-ylmethyl)phenyl]methanol;cyclopentane
CID 163701313

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol?
The IUPAC name of 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol (CID 78960004) is 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol.
What is the SMILES notation for 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol?
The canonical SMILES for 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol is Oc1ccc(CN2CCCC2)cc1Cl.
What is the InChIKey of 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol?
The InChIKey is DIQSLLUSEPJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO/c12-10-7-9(3-4-11(10)14)8-13-5-1-2-6-13/h3-4,7,14H,1-2,5-6,8H2.
What are the key properties of 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol?
2-chloro-4-(pyrrolidin-1-ylmethyl)phenol has a molecular weight of 211.69 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(pyrrolidin-1-ylmethyl)phenol is sourced from PubChem (CID 78960004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).