1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid

C11H14ClNO3 — CID 54136497

IUPAC1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
SMILESCc1cccc(Cl)c1OCC(C)NC(=O)O
InChIInChI=1S/C11H14ClNO3/c1-7-4-3-5-9(12)10(7)16-6-8(2)13-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)
InChIKeyNYBQJLREOPYYBW-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.68
Rot. Bonds4

About 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid

1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid (PubChem CID 54136497) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid.

Molecular Properties

Compound Name1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
PubChem CID54136497
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
SMILESCc1cccc(Cl)c1OCC(C)NC(=O)O
InChIInChI=1S/C11H14ClNO3/c1-7-4-3-5-9(12)10(7)16-6-8(2)13-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15)
InChIKeyNYBQJLREOPYYBW-UHFFFAOYSA-N
XLogP2.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-Chloro-2-methylphenoxy)acetamido]acetic acid
CID 222648
2-(2-chloro-6-methylphenoxy)-N,N-diethylethanamine
CID 867184
N-allyl-N-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]amine
CID 15945747
2-[4-(2-Chloro-6-methylphenoxy)butylamino]propan-1-ol
CID 145993964
2-Chloro-6-methylphenyl N,N-diethylalaninate--hydrogen chloride (1/1)
CID 16208
Glycine, N,N-diethyl-, 6-chloro-o-tolyl ester, hydrochloride
CID 16791
Carbamic acid, N-(2-(diethylamino)ethyl)-, 6-chloro-o-tolyl ester, hydrochloride
CID 54025
N-[3-(2-chloro-6-methylphenoxy)propyl]acetamide
CID 75446450
(2S)-2-[4-(2-chloro-6-methylphenoxy)butylamino]propan-1-ol
CID 145983680
2-(4-chloro-2-methylphenoxy)-N-(2-hydroxyethyl)acetamide
CID 346123
2-(2-Chloro-6-methylphenoxy)ethanamine
CID 17381699
2-[2-(2,4-Dichloro-6-methylphenoxy)ethylamino]ethanol
CID 2262182

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid?
The IUPAC name of 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid (CID 54136497) is 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid.
What is the SMILES notation for 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid?
The canonical SMILES for 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid is Cc1cccc(Cl)c1OCC(C)NC(=O)O.
What is the InChIKey of 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid?
The InChIKey is NYBQJLREOPYYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7-4-3-5-9(12)10(7)16-6-8(2)13-11(14)15/h3-5,8,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid?
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid has a molecular weight of 243.69 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid is sourced from PubChem (CID 54136497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).