3-(4-chloroanilino)phenol

C12H10ClNO — CID 22350263

IUPAC3-(4-chloroanilino)phenol
SMILESOc1cccc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h1-8,14-15H
InChIKeyGSHBBDLSLCDLCP-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.79
Rot. Bonds2

About 3-(4-chloroanilino)phenol

3-(4-chloroanilino)phenol (PubChem CID 22350263) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 3-(4-chloroanilino)phenol.

Molecular Properties

Compound Name3-(4-chloroanilino)phenol
PubChem CID22350263
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name3-(4-chloroanilino)phenol
SMILESOc1cccc(Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H10ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h1-8,14-15H
InChIKeyGSHBBDLSLCDLCP-UHFFFAOYSA-N
XLogP3.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(pyridin-4-ylamino)phenol
CID 13098457
3-(4-methoxyanilino)phenol
CID 15574559
N-[4-(4-chlorophenyl)phenyl]-3-methylaniline
CID 16755340
3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]phenol
CID 877802
3-(2,6-dimethylanilino)phenol
CID 53407688
3-(1,3-benzodioxol-5-ylamino)phenol
CID 82537338
3-(2-fluoroanilino)phenol
CID 82537350
3-[(7-chloroquinolin-4-yl)amino]phenol
CID 15654508
3-(4-chlorophenyl)phenol
CID 3015395
3-[(7-chloroquinolin-4-yl)amino]phenol;hydrochloride
CID 24884898
4-chloro-N-[3-(3-hydroxyanilino)quinoxalin-2-yl]benzenesulfonamide
CID 1024035
3-(1,2-oxazol-4-ylamino)phenol
CID 115014644

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroanilino)phenol?
The IUPAC name of 3-(4-chloroanilino)phenol (CID 22350263) is 3-(4-chloroanilino)phenol.
What is the SMILES notation for 3-(4-chloroanilino)phenol?
The canonical SMILES for 3-(4-chloroanilino)phenol is Oc1cccc(Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(4-chloroanilino)phenol?
The InChIKey is GSHBBDLSLCDLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c13-9-4-6-10(7-5-9)14-11-2-1-3-12(15)8-11/h1-8,14-15H.
What are the key properties of 3-(4-chloroanilino)phenol?
3-(4-chloroanilino)phenol has a molecular weight of 219.67 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroanilino)phenol is sourced from PubChem (CID 22350263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).