3-(3-bromophenoxy)propylcarbamic acid

C10H12BrNO3 — CID 69086482

IUPAC3-(3-bromophenoxy)propylcarbamic acid
SMILESO=C(O)NCCCOc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO3/c11-8-3-1-4-9(7-8)15-6-2-5-12-10(13)14/h1,3-4,7,12H,2,5-6H2,(H,13,14)
InChIKeyRAZDPNXRCIBPFV-UHFFFAOYSA-N
MW274.11 g/mol
LogP2.49
Rot. Bonds5

About 3-(3-bromophenoxy)propylcarbamic acid

3-(3-bromophenoxy)propylcarbamic acid (PubChem CID 69086482) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is 3-(3-bromophenoxy)propylcarbamic acid.

Molecular Properties

Compound Name3-(3-bromophenoxy)propylcarbamic acid
PubChem CID69086482
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name3-(3-bromophenoxy)propylcarbamic acid
SMILESO=C(O)NCCCOc1cccc(Br)c1
InChIInChI=1S/C10H12BrNO3/c11-8-3-1-4-9(7-8)15-6-2-5-12-10(13)14/h1,3-4,7,12H,2,5-6H2,(H,13,14)
InChIKeyRAZDPNXRCIBPFV-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 52.49
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

tert-butyl N-[3-(3-bromophenoxy)propyl]carbamate
CID 68922177
2-[3-(3-bromophenoxy)propylamino]ethanol;oxalic acid
CID 2922414
N'-[2-(3-bromophenoxy)ethyl]ethane-1,2-diamine;oxalic acid
CID 2923572
1-[2-(3-bromophenoxy)ethyl]-3-propylurea
CID 47130861
N-[2-(3-bromophenoxy)ethyl]butanamide
CID 113099626
1-[2-(3-bromophenoxy)ethyl]-3-(3,5-dimethylphenyl)urea
CID 112971202
4-amino-N-[2-(3-bromophenoxy)ethyl]butanamide;hydrochloride
CID 119301997
N-[2-(3-bromophenoxy)ethyl]butan-1-amine;oxalic acid
CID 2924091
1-[2-(3-bromophenoxy)ethyl]-3-propan-2-ylurea
CID 47329489
2-bromo-N-[2-(3-bromophenoxy)ethyl]benzamide
CID 113099636
N-[2-(3-bromophenoxy)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119746365
N-[2-(3-bromophenoxy)ethyl]-5-methyl-1,3,4-thiadiazole-2-carboxamide
CID 75505499

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenoxy)propylcarbamic acid?
The IUPAC name of 3-(3-bromophenoxy)propylcarbamic acid (CID 69086482) is 3-(3-bromophenoxy)propylcarbamic acid.
What is the SMILES notation for 3-(3-bromophenoxy)propylcarbamic acid?
The canonical SMILES for 3-(3-bromophenoxy)propylcarbamic acid is O=C(O)NCCCOc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenoxy)propylcarbamic acid?
The InChIKey is RAZDPNXRCIBPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-8-3-1-4-9(7-8)15-6-2-5-12-10(13)14/h1,3-4,7,12H,2,5-6H2,(H,13,14).
What are the key properties of 3-(3-bromophenoxy)propylcarbamic acid?
3-(3-bromophenoxy)propylcarbamic acid has a molecular weight of 274.11 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenoxy)propylcarbamic acid is sourced from PubChem (CID 69086482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).