2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate

C11H14ClNO3 — CID 64786534

IUPAC2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
SMILESCC(C)COC(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C11H14ClNO3/c1-7(2)6-16-11(15)13-8-3-4-9(12)10(14)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyCGSVSTNKKAYNGW-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.25
Rot. Bonds3

About 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate

2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate (PubChem CID 64786534) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
PubChem CID64786534
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
SMILESCC(C)COC(=O)Nc1ccc(Cl)c(O)c1
InChIInChI=1S/C11H14ClNO3/c1-7(2)6-16-11(15)13-8-3-4-9(12)10(14)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15)
InChIKeyCGSVSTNKKAYNGW-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl N-[4-[4-(2-methylpropoxycarbonylamino)phenyl]phenyl]carbamate
CID 18877627
2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-[(3,4-dichlorophenyl)carbamoyloxy]ethyl 3-methylbutanoate
CID 159240660
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
2-methylpropyl N-[4-chloro-3-(6-methyl-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]carbamate
CID 90403529
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
N-(4-chloro-3-hydroxyphenyl)-2-ethylbutanamide
CID 64788855
2-methylpropyl N-(3,5-dimethoxyphenyl)carbamate
CID 134090517
2-(propan-2-ylamino)ethyl N-(3,4-dichlorophenyl)carbamate
CID 79337426
dichloro-[[5-(2-methylpropoxycarbonylamino)-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 140726756

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate (CID 64786534) is 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate is CC(C)COC(=O)Nc1ccc(Cl)c(O)c1.
What is the InChIKey of 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate?
The InChIKey is CGSVSTNKKAYNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(2)6-16-11(15)13-8-3-4-9(12)10(14)5-8/h3-5,7,14H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate?
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate has a molecular weight of 243.69 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate is sourced from PubChem (CID 64786534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).