[5-[(4-chloroanilino)methyl]furan-2-yl]methanol

C12H12ClNO2 — CID 64578200

IUPAC[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClNO2/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-15)16-11/h1-6,14-15H,7-8H2
InChIKeyGNFKPZOSVVNTRI-UHFFFAOYSA-N
MW237.69 g/mol
LogP3.04
Rot. Bonds4

About [5-[(4-chloroanilino)methyl]furan-2-yl]methanol

[5-[(4-chloroanilino)methyl]furan-2-yl]methanol (PubChem CID 64578200) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is [5-[(4-chloroanilino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
PubChem CID64578200
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name[5-[(4-chloroanilino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNc2ccc(Cl)cc2)o1
InChIInChI=1S/C12H12ClNO2/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-15)16-11/h1-6,14-15H,7-8H2
InChIKeyGNFKPZOSVVNTRI-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[5-(hydroxymethyl)furan-2-yl]methylamino]benzonitrile
CID 64578988
[5-[[4-(trifluoromethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578774
[5-[(2-bromo-4-chloroanilino)methyl]furan-2-yl]methanol
CID 81263655
[5-[(3,5-difluoroanilino)methyl]furan-2-yl]methanol
CID 64578011
2-chloro-5-[[5-(hydroxymethyl)furan-2-yl]methylamino]-N-methylbenzamide
CID 64593149
N-(4-chlorophenyl)-5-(hydroxymethyl)furan-2-carboxamide
CID 71861123
[5-[[4-(2-methoxyethoxy)anilino]methyl]furan-2-yl]methanol
CID 64578423
[5-[(4-morpholin-4-ylanilino)methyl]furan-2-yl]methanol
CID 64578214
[5-[[4-(pyrazol-1-ylmethyl)anilino]methyl]furan-2-yl]methanol
CID 64591413
[5-[[4-chloro-3-(methylsulfanylmethyl)anilino]methyl]furan-2-yl]methanol
CID 84594625
[5-[(1,3-dihydro-2-benzofuran-5-ylamino)methyl]furan-2-yl]methanol
CID 113345604
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]phenol
CID 64578022

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloroanilino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(4-chloroanilino)methyl]furan-2-yl]methanol (CID 64578200) is [5-[(4-chloroanilino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(4-chloroanilino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(4-chloroanilino)methyl]furan-2-yl]methanol is OCc1ccc(CNc2ccc(Cl)cc2)o1.
What is the InChIKey of [5-[(4-chloroanilino)methyl]furan-2-yl]methanol?
The InChIKey is GNFKPZOSVVNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-1-3-10(4-2-9)14-7-11-5-6-12(8-15)16-11/h1-6,14-15H,7-8H2.
What are the key properties of [5-[(4-chloroanilino)methyl]furan-2-yl]methanol?
[5-[(4-chloroanilino)methyl]furan-2-yl]methanol has a molecular weight of 237.69 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloroanilino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64578200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).