(4-chloro-2-methoxyphenyl) carbamate

C8H8ClNO3 — CID 130017787

IUPAC(4-chloro-2-methoxyphenyl) carbamate
SMILESCOc1cc(Cl)ccc1OC(N)=O
InChIInChI=1S/C8H8ClNO3/c1-12-7-4-5(9)2-3-6(7)13-8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyGGVOJWGEGOYPRO-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.81
Rot. Bonds2

About (4-chloro-2-methoxyphenyl) carbamate

(4-chloro-2-methoxyphenyl) carbamate (PubChem CID 130017787) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl) carbamate.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl) carbamate
PubChem CID130017787
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name(4-chloro-2-methoxyphenyl) carbamate
SMILESCOc1cc(Cl)ccc1OC(N)=O
InChIInChI=1S/C8H8ClNO3/c1-12-7-4-5(9)2-3-6(7)13-8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyGGVOJWGEGOYPRO-UHFFFAOYSA-N
XLogP1.81
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-methoxyphenyl) acetate
CID 45073631
(5-chloro-2-methoxyphenyl) methyl carbonate
CID 170342081
[4-(2-aminoethyl)-2-methoxyphenyl] carbamate
CID 173379178
(2-bromo-5-chlorophenyl) carbamate
CID 174508201
4-chloro-2-methoxybenzamide
CID 19741766
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(Z)-2-(4-chloro-2-methoxyphenoxy)but-2-enedioic acid;(E)-2-(4-chloro-2-methoxyphenoxy)but-2-enedioic acid
CID 175803273
(4-chloro-2-methoxyphenyl) 4-(4-chloro-2-methoxyphenoxy)butanoate
CID 14661643
3-chloro-4-(4-chloro-2-methoxyphenoxy)benzamide
CID 86084993
2-chloro-2-(5-chloro-2-methoxyphenyl)acetamide
CID 138607352
CID 175597573
CID 175597573
(2-methoxy-4-methylphenyl) 2-(2,4-dichlorophenoxy)propanoate
CID 4876645

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl) carbamate?
The IUPAC name of (4-chloro-2-methoxyphenyl) carbamate (CID 130017787) is (4-chloro-2-methoxyphenyl) carbamate.
What is the SMILES notation for (4-chloro-2-methoxyphenyl) carbamate?
The canonical SMILES for (4-chloro-2-methoxyphenyl) carbamate is COc1cc(Cl)ccc1OC(N)=O.
What is the InChIKey of (4-chloro-2-methoxyphenyl) carbamate?
The InChIKey is GGVOJWGEGOYPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-12-7-4-5(9)2-3-6(7)13-8(10)11/h2-4H,1H3,(H2,10,11).
What are the key properties of (4-chloro-2-methoxyphenyl) carbamate?
(4-chloro-2-methoxyphenyl) carbamate has a molecular weight of 201.61 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl) carbamate is sourced from PubChem (CID 130017787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).