2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate

C10H11BrClNO3 — CID 175387864

IUPAC2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C10H11BrClNO3/c11-6-7-5-8(12)1-2-9(7)15-3-4-16-10(13)14/h1-2,5H,3-4,6H2,(H2,13,14)
InChIKeyRRVUHVGHKQRRIW-UHFFFAOYSA-N
MW308.56 g/mol
LogP2.71
Rot. Bonds5

About 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate

2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate (PubChem CID 175387864) has the molecular formula C10H11BrClNO3 and a molecular weight of 308.56 g/mol. Its IUPAC name is 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate.

Molecular Properties

Compound Name2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
PubChem CID175387864
Molecular FormulaC10H11BrClNO3
Molecular Weight308.56 g/mol
Exact Mass306.96
IUPAC Name2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate
SMILESNC(=O)OCCOc1ccc(Cl)cc1CBr
InChIInChI=1S/C10H11BrClNO3/c11-6-7-5-8(12)1-2-9(7)15-3-4-16-10(13)14/h1-2,5H,3-4,6H2,(H2,13,14)
InChIKeyRRVUHVGHKQRRIW-UHFFFAOYSA-N
XLogP2.71
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-4-chloro-1-(2-methoxyethoxy)benzene
CID 43142012
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
2-(bromomethyl)-4-chloro-1-(3-methylbutoxy)benzene
CID 43141990
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
2-(bromomethyl)-4-chloro-1-(2-methylpropoxy)benzene
CID 43142000
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-4-chloro-2-fluorobenzene
CID 89437045
3-[2-[(tert-butylamino)methyl]-4-chlorophenoxy]propanamide
CID 63056878
2-(bromomethyl)-4-chloro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705221
1-[[2-(bromomethyl)-4-chlorophenoxy]methyl]-2,4,5-trifluorobenzene
CID 89437055
2-(bromomethyl)-4-chloro-1-phenylmethoxybenzene;ethane
CID 143249325
2-(2-bromoethyl)-4-chloro-1-(2,2,2-trifluoroethoxy)benzene
CID 135154916
2-[5-chloro-2-(3-phenylpropoxy)phenyl]acetic acid
CID 10638258

Frequently Asked Questions

What is the IUPAC name of 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate?
The IUPAC name of 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate (CID 175387864) is 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate.
What is the SMILES notation for 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate?
The canonical SMILES for 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate is NC(=O)OCCOc1ccc(Cl)cc1CBr.
What is the InChIKey of 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate?
The InChIKey is RRVUHVGHKQRRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO3/c11-6-7-5-8(12)1-2-9(7)15-3-4-16-10(13)14/h1-2,5H,3-4,6H2,(H2,13,14).
What are the key properties of 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate?
2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate has a molecular weight of 308.56 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(bromomethyl)-4-chlorophenoxy]ethyl carbamate is sourced from PubChem (CID 175387864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).