[1-(3-iodophenyl)-1-methoxypropyl] carbamate

C11H14INO3 — CID 175407209

IUPAC[1-(3-iodophenyl)-1-methoxypropyl] carbamate
SMILESCCC(OC)(OC(N)=O)c1cccc(I)c1
InChIInChI=1S/C11H14INO3/c1-3-11(15-2,16-10(13)14)8-5-4-6-9(12)7-8/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyVPJBLVWQRPCGLC-UHFFFAOYSA-N
MW335.14 g/mol
LogP2.60
Rot. Bonds4

About [1-(3-iodophenyl)-1-methoxypropyl] carbamate

[1-(3-iodophenyl)-1-methoxypropyl] carbamate (PubChem CID 175407209) has the molecular formula C11H14INO3 and a molecular weight of 335.14 g/mol. Its IUPAC name is [1-(3-iodophenyl)-1-methoxypropyl] carbamate.

Molecular Properties

Compound Name[1-(3-iodophenyl)-1-methoxypropyl] carbamate
PubChem CID175407209
Molecular FormulaC11H14INO3
Molecular Weight335.14 g/mol
Exact Mass335.00
IUPAC Name[1-(3-iodophenyl)-1-methoxypropyl] carbamate
SMILESCCC(OC)(OC(N)=O)c1cccc(I)c1
InChIInChI=1S/C11H14INO3/c1-3-11(15-2,16-10(13)14)8-5-4-6-9(12)7-8/h4-7H,3H2,1-2H3,(H2,13,14)
InChIKeyVPJBLVWQRPCGLC-UHFFFAOYSA-N
XLogP2.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[1-(2,6-dichlorophenyl)-1-(methoxymethoxy)propyl] carbamate
CID 175407279
[1-(4-fluorophenyl)-1-(methoxymethoxy)propyl] carbamate
CID 175407152
2-phenylpropan-2-yl carbamate;propane
CID 175117543
2-(3-iodophenyl)-8-methoxy-2,7,7-trimethyl-8-oxooctanoic acid
CID 174251344
2-(3-iodophenyl)-4-(2-isocyanopropan-2-yloxy)-2-methylbutanoic acid
CID 176798860
[8-bromo-6-(3-iodophenyl)-2,2,6-trimethyl-7-oxooctyl] acetate
CID 171076997
[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
CID 175520847
1,1-diphenylethyl carbamate
CID 20976713
[(1R)-1-(2-iodophenyl)-1-(methoxymethoxy)butyl] carbamate
CID 175407046
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
(2R)-8-[tert-butyl(dimethyl)silyl]oxy-2-(3-iodophenyl)-2,7,7-trimethyloctanoic acid
CID 171078820
1-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-3-iodobenzene
CID 141209545

Frequently Asked Questions

What is the IUPAC name of [1-(3-iodophenyl)-1-methoxypropyl] carbamate?
The IUPAC name of [1-(3-iodophenyl)-1-methoxypropyl] carbamate (CID 175407209) is [1-(3-iodophenyl)-1-methoxypropyl] carbamate.
What is the SMILES notation for [1-(3-iodophenyl)-1-methoxypropyl] carbamate?
The canonical SMILES for [1-(3-iodophenyl)-1-methoxypropyl] carbamate is CCC(OC)(OC(N)=O)c1cccc(I)c1.
What is the InChIKey of [1-(3-iodophenyl)-1-methoxypropyl] carbamate?
The InChIKey is VPJBLVWQRPCGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3/c1-3-11(15-2,16-10(13)14)8-5-4-6-9(12)7-8/h4-7H,3H2,1-2H3,(H2,13,14).
What are the key properties of [1-(3-iodophenyl)-1-methoxypropyl] carbamate?
[1-(3-iodophenyl)-1-methoxypropyl] carbamate has a molecular weight of 335.14 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-iodophenyl)-1-methoxypropyl] carbamate is sourced from PubChem (CID 175407209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).