iodomethyl carbamate;2-phenylethylbenzene

C16H18INO2 — CID 67308047

IUPACiodomethyl carbamate;2-phenylethylbenzene
SMILESNC(=O)OCI.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C2H4INO2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3-1-6-2(4)5/h1-10H,11-12H2;1H2,(H2,4,5)
InChIKeyXGGKOCPLDIWRLQ-UHFFFAOYSA-N
MW383.23 g/mol
LogP3.95
Rot. Bonds4

About iodomethyl carbamate;2-phenylethylbenzene

iodomethyl carbamate;2-phenylethylbenzene (PubChem CID 67308047) has the molecular formula C16H18INO2 and a molecular weight of 383.23 g/mol. Its IUPAC name is iodomethyl carbamate;2-phenylethylbenzene.

Molecular Properties

Compound Nameiodomethyl carbamate;2-phenylethylbenzene
PubChem CID67308047
Molecular FormulaC16H18INO2
Molecular Weight383.23 g/mol
Exact Mass383.04
IUPAC Nameiodomethyl carbamate;2-phenylethylbenzene
SMILESNC(=O)OCI.c1ccc(CCc2ccccc2)cc1
InChIInChI=1S/C14H14.C2H4INO2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3-1-6-2(4)5/h1-10H,11-12H2;1H2,(H2,4,5)
InChIKeyXGGKOCPLDIWRLQ-UHFFFAOYSA-N
XLogP3.95
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-phenyloctyl carbamate
CID 67180735
benzyl carbamate;heptahydrochloride
CID 141351835
4-(2-phenylethyl)benzamide
CID 23130460
carbamoyl 3-phenylpropanoate
CID 56614916
(2-hydroxy-4-phenylbutyl) carbamate
CID 67337427
butylbenzene;ethyl carbamate
CID 175305774
benzene;2-phenylethylbenzene
CID 18982764
tert-butyl carbamate;2-phenylethyl carbamate
CID 142108258
carbonic acid;3-phenylpropanamide
CID 174965682
2-iodoacetamide;phenylmethanesulfonyl fluoride
CID 88669921
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425
acetamide;propylbenzene
CID 142238516

Frequently Asked Questions

What is the IUPAC name of iodomethyl carbamate;2-phenylethylbenzene?
The IUPAC name of iodomethyl carbamate;2-phenylethylbenzene (CID 67308047) is iodomethyl carbamate;2-phenylethylbenzene.
What is the SMILES notation for iodomethyl carbamate;2-phenylethylbenzene?
The canonical SMILES for iodomethyl carbamate;2-phenylethylbenzene is NC(=O)OCI.c1ccc(CCc2ccccc2)cc1.
What is the InChIKey of iodomethyl carbamate;2-phenylethylbenzene?
The InChIKey is XGGKOCPLDIWRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C2H4INO2/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;3-1-6-2(4)5/h1-10H,11-12H2;1H2,(H2,4,5).
What are the key properties of iodomethyl carbamate;2-phenylethylbenzene?
iodomethyl carbamate;2-phenylethylbenzene has a molecular weight of 383.23 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethyl carbamate;2-phenylethylbenzene is sourced from PubChem (CID 67308047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).