4-(chloroamino)-3-propan-2-yloxyphenol

C9H12ClNO2 — CID 139405527

IUPAC4-(chloroamino)-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)ccc1NCl
InChIInChI=1S/C9H12ClNO2/c1-6(2)13-9-5-7(12)3-4-8(9)11-10/h3-6,11-12H,1-2H3
InChIKeyABRSHKFDXTXGTA-UHFFFAOYSA-N
MW201.65 g/mol
LogP2.75
Rot. Bonds3

About 4-(chloroamino)-3-propan-2-yloxyphenol

4-(chloroamino)-3-propan-2-yloxyphenol (PubChem CID 139405527) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 4-(chloroamino)-3-propan-2-yloxyphenol.

Molecular Properties

Compound Name4-(chloroamino)-3-propan-2-yloxyphenol
PubChem CID139405527
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name4-(chloroamino)-3-propan-2-yloxyphenol
SMILESCC(C)Oc1cc(O)ccc1NCl
InChIInChI=1S/C9H12ClNO2/c1-6(2)13-9-5-7(12)3-4-8(9)11-10/h3-6,11-12H,1-2H3
InChIKeyABRSHKFDXTXGTA-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-propan-2-yloxyphenol
CID 69025591
3-propan-2-yloxy-4-propylphenol
CID 20571185
N-[2,4-di(propan-2-yloxy)phenyl]hydroxylamine
CID 102213388
4-[2-(4-hydroxy-2-propan-2-yloxyanilino)-2-oxoethyl]thiophene-2-carboxylic acid
CID 166289725
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
N-(4-methyl-2-propan-2-yloxyphenyl)acetamide
CID 71514157
2,5-di(propan-2-yloxy)phenol
CID 57426094
4-[(3-chloro-4-propan-2-yloxyanilino)methyl]benzene-1,3-diol
CID 43727146
2-chloro-1-[2-(difluoromethoxy)-4-hydroxyphenyl]propan-1-one
CID 134619501
ethane;4-propan-2-yloxyphenol
CID 142348653
4-(propan-2-ylamino)benzene-1,3-diol
CID 83955270
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188

Frequently Asked Questions

What is the IUPAC name of 4-(chloroamino)-3-propan-2-yloxyphenol?
The IUPAC name of 4-(chloroamino)-3-propan-2-yloxyphenol (CID 139405527) is 4-(chloroamino)-3-propan-2-yloxyphenol.
What is the SMILES notation for 4-(chloroamino)-3-propan-2-yloxyphenol?
The canonical SMILES for 4-(chloroamino)-3-propan-2-yloxyphenol is CC(C)Oc1cc(O)ccc1NCl.
What is the InChIKey of 4-(chloroamino)-3-propan-2-yloxyphenol?
The InChIKey is ABRSHKFDXTXGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2/c1-6(2)13-9-5-7(12)3-4-8(9)11-10/h3-6,11-12H,1-2H3.
What are the key properties of 4-(chloroamino)-3-propan-2-yloxyphenol?
4-(chloroamino)-3-propan-2-yloxyphenol has a molecular weight of 201.65 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloroamino)-3-propan-2-yloxyphenol is sourced from PubChem (CID 139405527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).