4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol

C12H12ClNO2 — CID 25267110

IUPAC4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)c(CNCc2ccco2)c1
InChIInChI=1S/C12H12ClNO2/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-6,14-15H,7-8H2
InChIKeyKOORHIPUVQFKPJ-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.93
Rot. Bonds4

About 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol

4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol (PubChem CID 25267110) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol
PubChem CID25267110
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol
SMILESOc1ccc(Cl)c(CNCc2ccco2)c1
InChIInChI=1S/C12H12ClNO2/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-6,14-15H,7-8H2
InChIKeyKOORHIPUVQFKPJ-UHFFFAOYSA-N
XLogP2.93
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol?
The IUPAC name of 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol (CID 25267110) is 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol is Oc1ccc(Cl)c(CNCc2ccco2)c1.
What is the InChIKey of 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol?
The InChIKey is KOORHIPUVQFKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-12-4-3-10(15)6-9(12)7-14-8-11-2-1-5-16-11/h1-6,14-15H,7-8H2.
What are the key properties of 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol?
4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol has a molecular weight of 237.69 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(furan-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 25267110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).