(3-chloro-4-methylphenyl) carbamate

C8H8ClNO2 — CID 18431892

IUPAC(3-chloro-4-methylphenyl) carbamate
SMILESCc1ccc(OC(N)=O)cc1Cl
InChIInChI=1S/C8H8ClNO2/c1-5-2-3-6(4-7(5)9)12-8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyKZCXMZLEEWLBFE-UHFFFAOYSA-N
MW185.61 g/mol
LogP2.11
Rot. Bonds1

About (3-chloro-4-methylphenyl) carbamate

(3-chloro-4-methylphenyl) carbamate (PubChem CID 18431892) has the molecular formula C8H8ClNO2 and a molecular weight of 185.61 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl) carbamate.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl) carbamate
PubChem CID18431892
Molecular FormulaC8H8ClNO2
Molecular Weight185.61 g/mol
Exact Mass185.02
IUPAC Name(3-chloro-4-methylphenyl) carbamate
SMILESCc1ccc(OC(N)=O)cc1Cl
InChIInChI=1S/C8H8ClNO2/c1-5-2-3-6(4-7(5)9)12-8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyKZCXMZLEEWLBFE-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.61
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
(4-ethyl-3-methylphenyl) carbamate
CID 3027931
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
(3-chloro-4-methylphenyl) (E)-3-phenylprop-2-enoate
CID 23010742
2-chloro-4-methoxy-1-methylbenzene
CID 6951757
bis(3-chloro-4-methylphenoxy)-oxophosphanium
CID 154133035
3-chloro-4-methylbenzamide;ethane
CID 162191867
(4-chloro-3-nitrophenyl) carbamate
CID 175197742
(3-chloro-4-methylphenoxy)methylhydrazine
CID 91621764
(4-amino-3,5-dimethylphenyl) carbamate
CID 175292870
[3-chloro-4-(1,3,4-oxadiazol-2-yl)phenyl] carbamate
CID 155267641
2-[2-(3-chloro-4-methylphenoxy)ethyl]guanidine
CID 154150076

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl) carbamate?
The IUPAC name of (3-chloro-4-methylphenyl) carbamate (CID 18431892) is (3-chloro-4-methylphenyl) carbamate.
What is the SMILES notation for (3-chloro-4-methylphenyl) carbamate?
The canonical SMILES for (3-chloro-4-methylphenyl) carbamate is Cc1ccc(OC(N)=O)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl) carbamate?
The InChIKey is KZCXMZLEEWLBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO2/c1-5-2-3-6(4-7(5)9)12-8(10)11/h2-4H,1H3,(H2,10,11).
What are the key properties of (3-chloro-4-methylphenyl) carbamate?
(3-chloro-4-methylphenyl) carbamate has a molecular weight of 185.61 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl) carbamate is sourced from PubChem (CID 18431892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).