2-chloro-4,5-dimethylphenol;methyl carbamate

C10H14ClNO3 — CID 23617210

IUPAC2-chloro-4,5-dimethylphenol;methyl carbamate
SMILESCOC(N)=O.Cc1cc(O)c(Cl)cc1C
InChIInChI=1S/C8H9ClO.C2H5NO2/c1-5-3-7(9)8(10)4-6(5)2;1-5-2(3)4/h3-4,10H,1-2H3;1H3,(H2,3,4)
InChIKeyZIWAXKRVDLIKKK-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.37
Rot. Bonds

About 2-chloro-4,5-dimethylphenol;methyl carbamate

2-chloro-4,5-dimethylphenol;methyl carbamate (PubChem CID 23617210) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is 2-chloro-4,5-dimethylphenol;methyl carbamate.

Molecular Properties

Compound Name2-chloro-4,5-dimethylphenol;methyl carbamate
PubChem CID23617210
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Name2-chloro-4,5-dimethylphenol;methyl carbamate
SMILESCOC(N)=O.Cc1cc(O)c(Cl)cc1C
InChIInChI=1S/C8H9ClO.C2H5NO2/c1-5-3-7(9)8(10)4-6(5)2;1-5-2(3)4/h3-4,10H,1-2H3;1H3,(H2,3,4)
InChIKeyZIWAXKRVDLIKKK-UHFFFAOYSA-N
XLogP2.37
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (Z)-2-amino-3-(2-chloro-4,5-dimethylphenyl)prop-2-enoate
CID 142427935
5-amino-2-chloro-4-methylphenol
CID 21428510
ethyl 2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetate
CID 117358575
4-chloro-5-methoxy-2-methylphenol
CID 21341377
(2,5-dichloro-4-methylphenyl) carbamate
CID 175535955
2-(5-chloro-4-hydroxy-2-methylphenyl)-2-oxoacetic acid
CID 117305831
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
methyl 2-hydroxy-2-(2-hydroxy-4,5-dimethylphenyl)acetate
CID 117300142
methyl 2-[(3-chloro-4-hydroxybenzoyl)amino]propanoate
CID 60654193
methyl 2-(2-chloro-3,4-dihydroxy-6-methylphenyl)-2-hydroxyacetate
CID 117369055
methyl 3-amino-2,6-dichloro-4-methylbenzoate
CID 58277770
4-chloro-5-methylbenzene-1,2-diol
CID 23510503

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-dimethylphenol;methyl carbamate?
The IUPAC name of 2-chloro-4,5-dimethylphenol;methyl carbamate (CID 23617210) is 2-chloro-4,5-dimethylphenol;methyl carbamate.
What is the SMILES notation for 2-chloro-4,5-dimethylphenol;methyl carbamate?
The canonical SMILES for 2-chloro-4,5-dimethylphenol;methyl carbamate is COC(N)=O.Cc1cc(O)c(Cl)cc1C.
What is the InChIKey of 2-chloro-4,5-dimethylphenol;methyl carbamate?
The InChIKey is ZIWAXKRVDLIKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.C2H5NO2/c1-5-3-7(9)8(10)4-6(5)2;1-5-2(3)4/h3-4,10H,1-2H3;1H3,(H2,3,4).
What are the key properties of 2-chloro-4,5-dimethylphenol;methyl carbamate?
2-chloro-4,5-dimethylphenol;methyl carbamate has a molecular weight of 231.68 g/mol, XLogP of 2.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-dimethylphenol;methyl carbamate is sourced from PubChem (CID 23617210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).