2-amino-4-chloro-6-(1-hydroxyhexyl)phenol

C12H18ClNO2 — CID 70556848

IUPAC2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
SMILESCCCCCC(O)c1cc(Cl)cc(N)c1O
InChIInChI=1S/C12H18ClNO2/c1-2-3-4-5-11(15)9-6-8(13)7-10(14)12(9)16/h6-7,11,15-16H,2-5,14H2,1H3
InChIKeyMUTXDGXXPRPTLT-UHFFFAOYSA-N
MW243.73 g/mol
LogP3.24
Rot. Bonds5

About 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol

2-amino-4-chloro-6-(1-hydroxyhexyl)phenol (PubChem CID 70556848) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol.

Molecular Properties

Compound Name2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
PubChem CID70556848
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC Name2-amino-4-chloro-6-(1-hydroxyhexyl)phenol
SMILESCCCCCC(O)c1cc(Cl)cc(N)c1O
InChIInChI=1S/C12H18ClNO2/c1-2-3-4-5-11(15)9-6-8(13)7-10(14)12(9)16/h6-7,11,15-16H,2-5,14H2,1H3
InChIKeyMUTXDGXXPRPTLT-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(3-amino-5-chloro-2-hydroxyphenyl)propanoate
CID 70541390
1-(3,5-dichlorophenyl)hexan-1-ol
CID 65149742
2-amino-4-tert-butyl-6-(1-hydroxybutyl)phenol
CID 70556409
1-(5-chloro-2-methylphenyl)decan-1-ol
CID 115783029
1-(4-amino-2-chlorophenyl)octan-1-ol
CID 112736197
2-[(1R)-1-aminopentyl]-4-chloro-6-methylphenol;hydrochloride
CID 171214986
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol
CID 171197706
2-[(1R)-1-aminopentyl]-4,6-dichlorophenol;hydrochloride
CID 171197707
1-(2-amino-5-bromophenyl)hexan-1-ol
CID 82703402
(1R)-1-(4-chlorophenyl)heptan-1-ol
CID 94505087
(1R)-1-(4-chlorophenyl)undecan-1-ol
CID 98483140
1-(2-amino-5-bromophenyl)undecan-1-ol
CID 82703415

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol?
The IUPAC name of 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol (CID 70556848) is 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol.
What is the SMILES notation for 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol?
The canonical SMILES for 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol is CCCCCC(O)c1cc(Cl)cc(N)c1O.
What is the InChIKey of 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol?
The InChIKey is MUTXDGXXPRPTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-2-3-4-5-11(15)9-6-8(13)7-10(14)12(9)16/h6-7,11,15-16H,2-5,14H2,1H3.
What are the key properties of 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol?
2-amino-4-chloro-6-(1-hydroxyhexyl)phenol has a molecular weight of 243.73 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-(1-hydroxyhexyl)phenol is sourced from PubChem (CID 70556848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).