4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol

C12H16ClNO2 — CID 117356194

IUPAC4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(O)c(CC2CCCN2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-16-12-7-11(15)8(6-10(12)13)5-9-3-2-4-14-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyLZPODMINBLFCSF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.35
Rot. Bonds3

About 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol

4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol (PubChem CID 117356194) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
PubChem CID117356194
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
SMILESCOc1cc(O)c(CC2CCCN2)cc1Cl
InChIInChI=1S/C12H16ClNO2/c1-16-12-7-11(15)8(6-10(12)13)5-9-3-2-4-14-9/h6-7,9,14-15H,2-5H2,1H3
InChIKeyLZPODMINBLFCSF-UHFFFAOYSA-N
XLogP2.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-methoxy-2-(pyrrolidin-2-ylmethyl)phenol
CID 117460798
2-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]piperidine
CID 117452803
2-methoxy-4-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117316526
4-chloro-2-methoxy-3-methyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117392681
2-chloro-3-methoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 84801195
2-[(5-chloro-4-fluoro-2,3-dimethoxyphenyl)methyl]pyrrolidine
CID 117437129
4-chloro-2-(piperidin-2-ylmethyl)-5-propan-2-ylphenol
CID 117423339
4-methoxy-2,3-dimethyl-6-(pyrrolidin-2-ylmethyl)phenol
CID 117343303
2-[(3-chloro-4-methoxyphenyl)methyl]piperidine
CID 82084437
5-chloro-2,3-dimethoxy-6-(pyrrolidin-2-ylmethyl)phenol
CID 117432090
6-chloro-2,3-difluoro-4-(pyrrolidin-2-ylmethyl)phenol
CID 117372352
6-chloro-2-methoxy-3-(pyrrolidin-2-ylmethyl)phenol
CID 117356192

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The IUPAC name of 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol (CID 117356194) is 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol.
What is the SMILES notation for 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The canonical SMILES for 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol is COc1cc(O)c(CC2CCCN2)cc1Cl.
What is the InChIKey of 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
The InChIKey is LZPODMINBLFCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-16-12-7-11(15)8(6-10(12)13)5-9-3-2-4-14-9/h6-7,9,14-15H,2-5H2,1H3.
What are the key properties of 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol?
4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol has a molecular weight of 241.72 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxy-2-(pyrrolidin-2-ylmethyl)phenol is sourced from PubChem (CID 117356194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).