hexyl N-(3-chloro-2-hydroxyphenyl)carbamate

C13H18ClNO3 — CID 69009032

IUPAChexyl N-(3-chloro-2-hydroxyphenyl)carbamate
SMILESCCCCCCOC(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C13H18ClNO3/c1-2-3-4-5-9-18-13(17)15-11-8-6-7-10(14)12(11)16/h6-8,16H,2-5,9H2,1H3,(H,15,17)
InChIKeyYYUBWWWPTVBWDY-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.17
Rot. Bonds6

About hexyl N-(3-chloro-2-hydroxyphenyl)carbamate

hexyl N-(3-chloro-2-hydroxyphenyl)carbamate (PubChem CID 69009032) has the molecular formula C13H18ClNO3 and a molecular weight of 271.74 g/mol. Its IUPAC name is hexyl N-(3-chloro-2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namehexyl N-(3-chloro-2-hydroxyphenyl)carbamate
PubChem CID69009032
Molecular FormulaC13H18ClNO3
Molecular Weight271.74 g/mol
Exact Mass271.10
IUPAC Namehexyl N-(3-chloro-2-hydroxyphenyl)carbamate
SMILESCCCCCCOC(=O)Nc1cccc(Cl)c1O
InChIInChI=1S/C13H18ClNO3/c1-2-3-4-5-9-18-13(17)15-11-8-6-7-10(14)12(11)16/h6-8,16H,2-5,9H2,1H3,(H,15,17)
InChIKeyYYUBWWWPTVBWDY-UHFFFAOYSA-N
XLogP4.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
methyl 2-(hexadecoxycarbonylamino)-6-hydroxybenzoate
CID 139715263
methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
pentyl N-(2,3-dimethylphenyl)carbamate
CID 67224128
heptyl 2-(2-chloroanilino)-2-oxoacetate
CID 6420862
1-butyl-3-(3-chloro-2-hydroxyphenyl)urea
CID 174595887
3-(7-chloroheptoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000977
dodecyl N-[4-(dodecoxycarbonylamino)phenyl]carbamate
CID 102360236
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
heptyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate
CID 2250939
dodecyl N-phenylcarbamate
CID 521818
N-(3-chloro-2-hydroxyphenyl)propanamide
CID 11206429

Frequently Asked Questions

What is the IUPAC name of hexyl N-(3-chloro-2-hydroxyphenyl)carbamate?
The IUPAC name of hexyl N-(3-chloro-2-hydroxyphenyl)carbamate (CID 69009032) is hexyl N-(3-chloro-2-hydroxyphenyl)carbamate.
What is the SMILES notation for hexyl N-(3-chloro-2-hydroxyphenyl)carbamate?
The canonical SMILES for hexyl N-(3-chloro-2-hydroxyphenyl)carbamate is CCCCCCOC(=O)Nc1cccc(Cl)c1O.
What is the InChIKey of hexyl N-(3-chloro-2-hydroxyphenyl)carbamate?
The InChIKey is YYUBWWWPTVBWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3/c1-2-3-4-5-9-18-13(17)15-11-8-6-7-10(14)12(11)16/h6-8,16H,2-5,9H2,1H3,(H,15,17).
What are the key properties of hexyl N-(3-chloro-2-hydroxyphenyl)carbamate?
hexyl N-(3-chloro-2-hydroxyphenyl)carbamate has a molecular weight of 271.74 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-(3-chloro-2-hydroxyphenyl)carbamate is sourced from PubChem (CID 69009032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).