1-(4-iodophenoxy)propan-2-yl carbamate

C10H12INO3 — CID 175114325

IUPAC1-(4-iodophenoxy)propan-2-yl carbamate
SMILESCC(COc1ccc(I)cc1)OC(N)=O
InChIInChI=1S/C10H12INO3/c1-7(15-10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyNLDPTRRECVUBRJ-UHFFFAOYSA-N
MW321.11 g/mol
LogP2.15
Rot. Bonds4

About 1-(4-iodophenoxy)propan-2-yl carbamate

1-(4-iodophenoxy)propan-2-yl carbamate (PubChem CID 175114325) has the molecular formula C10H12INO3 and a molecular weight of 321.11 g/mol. Its IUPAC name is 1-(4-iodophenoxy)propan-2-yl carbamate.

Molecular Properties

Compound Name1-(4-iodophenoxy)propan-2-yl carbamate
PubChem CID175114325
Molecular FormulaC10H12INO3
Molecular Weight321.11 g/mol
Exact Mass320.99
IUPAC Name1-(4-iodophenoxy)propan-2-yl carbamate
SMILESCC(COc1ccc(I)cc1)OC(N)=O
InChIInChI=1S/C10H12INO3/c1-7(15-10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H2,12,13)
InChIKeyNLDPTRRECVUBRJ-UHFFFAOYSA-N
XLogP2.15
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(4-iodophenoxy)-2-methylpropanoate
CID 43538009
1-(4-iodophenoxy)propan-2-ol
CID 65277775
1-[(2-chloro-4-pyridinyl)oxy]propan-2-yl carbamate
CID 175531201
1-(4-aminophenoxy)-3-(4-iodophenoxy)propan-2-ol
CID 62269697
1-[4-(trifluoromethyl)phenoxy]propan-2-yl acetate
CID 67250236
1-phenoxypropan-2-yl benzoate
CID 59854364
1-(4-phenylmethoxyphenoxy)propan-2-yl acetate
CID 54480267
3,3,3-trifluoro-2-[(4-iodophenoxy)methyl]propanoic acid
CID 103372279
3-(4-iodophenoxy)-2,2-dimethylpropanoic acid
CID 79622093
ethyl 2-(4-iodophenoxy)propanoate
CID 17024636
4-(2-sulfanylpropoxy)benzamide
CID 137429548
4-[2-[(E)-3-carboxyprop-2-enoyl]oxypropoxy]benzoic acid
CID 101004766

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenoxy)propan-2-yl carbamate?
The IUPAC name of 1-(4-iodophenoxy)propan-2-yl carbamate (CID 175114325) is 1-(4-iodophenoxy)propan-2-yl carbamate.
What is the SMILES notation for 1-(4-iodophenoxy)propan-2-yl carbamate?
The canonical SMILES for 1-(4-iodophenoxy)propan-2-yl carbamate is CC(COc1ccc(I)cc1)OC(N)=O.
What is the InChIKey of 1-(4-iodophenoxy)propan-2-yl carbamate?
The InChIKey is NLDPTRRECVUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3/c1-7(15-10(12)13)6-14-9-4-2-8(11)3-5-9/h2-5,7H,6H2,1H3,(H2,12,13).
What are the key properties of 1-(4-iodophenoxy)propan-2-yl carbamate?
1-(4-iodophenoxy)propan-2-yl carbamate has a molecular weight of 321.11 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenoxy)propan-2-yl carbamate is sourced from PubChem (CID 175114325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).