2-(2-chloro-4-methylphenoxy)ethylcarbamic acid

C10H12ClNO3 — CID 146277340

IUPAC2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
SMILESCc1ccc(OCCNC(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-7-2-3-9(8(11)6-7)15-5-4-12-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyZRAWEIJNFVXQQF-UHFFFAOYSA-N
MW229.66 g/mol
LogP2.29
Rot. Bonds4

About 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid

2-(2-chloro-4-methylphenoxy)ethylcarbamic acid (PubChem CID 146277340) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
PubChem CID146277340
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
SMILESCc1ccc(OCCNC(=O)O)c(Cl)c1
InChIInChI=1S/C10H12ClNO3/c1-7-2-3-9(8(11)6-7)15-5-4-12-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14)
InChIKeyZRAWEIJNFVXQQF-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
2-(2-chloro-5-methylphenoxy)ethylurea
CID 82081437
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
2-[2-chloro-4-(3,5-difluorophenoxy)phenoxy]ethylcarbamic acid
CID 57257814
4-(2-chloro-4-methylphenoxy)butanehydrazide
CID 54793096
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide
CID 5298522
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
N-[2-(2-bromo-4-methylphenoxy)ethyl]acetamide
CID 3822965
1-(4-bromophenyl)-3-[2-(2-chloro-5-methylphenoxy)ethyl]urea
CID 112976900
2-chloro-N-[2-(2-chloro-5-methylphenoxy)ethyl]-6-fluorobenzamide
CID 113102839

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid?
The IUPAC name of 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid (CID 146277340) is 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid.
What is the SMILES notation for 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid?
The canonical SMILES for 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid is Cc1ccc(OCCNC(=O)O)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid?
The InChIKey is ZRAWEIJNFVXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-7-2-3-9(8(11)6-7)15-5-4-12-10(13)14/h2-3,6,12H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid?
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid has a molecular weight of 229.66 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methylphenoxy)ethylcarbamic acid is sourced from PubChem (CID 146277340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).