3-(3,4-dichlorophenoxy)propylcarbamic acid

C10H11Cl2NO3 — CID 89477736

IUPAC3-(3,4-dichlorophenoxy)propylcarbamic acid
SMILESO=C(O)NCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c11-8-3-2-7(6-9(8)12)16-5-1-4-13-10(14)15/h2-3,6,13H,1,4-5H2,(H,14,15)
InChIKeyDPVOGRCHLOZOAB-UHFFFAOYSA-N
MW264.11 g/mol
LogP3.03
Rot. Bonds5

About 3-(3,4-dichlorophenoxy)propylcarbamic acid

3-(3,4-dichlorophenoxy)propylcarbamic acid (PubChem CID 89477736) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is 3-(3,4-dichlorophenoxy)propylcarbamic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenoxy)propylcarbamic acid
PubChem CID89477736
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name3-(3,4-dichlorophenoxy)propylcarbamic acid
SMILESO=C(O)NCCCOc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c11-8-3-2-7(6-9(8)12)16-5-1-4-13-10(14)15/h2-3,6,13H,1,4-5H2,(H,14,15)
InChIKeyDPVOGRCHLOZOAB-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 53.03
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-(3,4-dichlorophenoxy)ethyl]acetamide
CID 51066305
2-[3-(3,4-dichlorophenoxy)propylamino]ethanol
CID 2581098
3-(4-aminophenoxy)propylcarbamic acid
CID 22640978
3-(3-bromophenoxy)propylcarbamic acid
CID 69086482
(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819713
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]benzamide
CID 174392041
2-(3,4-dichlorophenoxy)-N-ethylethanamine
CID 6457952
2-(3,4-dichlorophenoxy)-N-[3-(2-fluorophenoxy)propyl]acetamide
CID 39490271
N'-[2-(3,4-dichlorophenoxy)ethyl]propane-1,3-diamine
CID 2977619
N-[2-(3,4-dichlorophenoxy)ethyl]-3-methoxypropan-1-amine
CID 2581257
3-(3,4-dichlorophenoxy)-N-[2-(pyrimidin-2-ylamino)ethyl]propanamide
CID 55933060
4-(3,4-dichlorophenoxy)-1-hydroxybutan-2-one
CID 95459695

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenoxy)propylcarbamic acid?
The IUPAC name of 3-(3,4-dichlorophenoxy)propylcarbamic acid (CID 89477736) is 3-(3,4-dichlorophenoxy)propylcarbamic acid.
What is the SMILES notation for 3-(3,4-dichlorophenoxy)propylcarbamic acid?
The canonical SMILES for 3-(3,4-dichlorophenoxy)propylcarbamic acid is O=C(O)NCCCOc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(3,4-dichlorophenoxy)propylcarbamic acid?
The InChIKey is DPVOGRCHLOZOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c11-8-3-2-7(6-9(8)12)16-5-1-4-13-10(14)15/h2-3,6,13H,1,4-5H2,(H,14,15).
What are the key properties of 3-(3,4-dichlorophenoxy)propylcarbamic acid?
3-(3,4-dichlorophenoxy)propylcarbamic acid has a molecular weight of 264.11 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenoxy)propylcarbamic acid is sourced from PubChem (CID 89477736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).