4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol

C13H12ClNO2 — CID 137279022

IUPAC4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Cc1ccco1)c1cc(Cl)ccc1O
InChIInChI=1S/C13H12ClNO2/c1-9(15-8-11-3-2-6-17-11)12-7-10(14)4-5-13(12)16/h2-7,16H,8H2,1H3/b15-9+
InChIKeyYCQCOMLNTBODBG-OQLLNIDSSA-N
MW249.70 g/mol
LogP3.65
Rot. Bonds3

About 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol

4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol (PubChem CID 137279022) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol
PubChem CID137279022
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\Cc1ccco1)c1cc(Cl)ccc1O
InChIInChI=1S/C13H12ClNO2/c1-9(15-8-11-3-2-6-17-11)12-7-10(14)4-5-13(12)16/h2-7,16H,8H2,1H3/b15-9+
InChIKeyYCQCOMLNTBODBG-OQLLNIDSSA-N
XLogP3.65
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol (CID 137279022) is 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol is C/C(=N\Cc1ccco1)c1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol?
The InChIKey is YCQCOMLNTBODBG-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9(15-8-11-3-2-6-17-11)12-7-10(14)4-5-13(12)16/h2-7,16H,8H2,1H3/b15-9+.
What are the key properties of 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol?
4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol has a molecular weight of 249.70 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[N-(furan-2-ylmethyl)-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 137279022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).