(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate

C18H14INO3 — CID 175264172

IUPAC(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
SMILESNC(=O)Oc1cc(OCc2ccccc2)c2ccccc2c1I
InChIInChI=1S/C18H14INO3/c19-17-14-9-5-4-8-13(14)15(10-16(17)23-18(20)21)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,20,21)
InChIKeyISGYSNWVMNJBFO-UHFFFAOYSA-N
MW419.22 g/mol
LogP4.48
Rot. Bonds4

About (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate

(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate (PubChem CID 175264172) has the molecular formula C18H14INO3 and a molecular weight of 419.22 g/mol. Its IUPAC name is (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate.

Molecular Properties

Compound Name(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
PubChem CID175264172
Molecular FormulaC18H14INO3
Molecular Weight419.22 g/mol
Exact Mass419.00
IUPAC Name(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate
SMILESNC(=O)Oc1cc(OCc2ccccc2)c2ccccc2c1I
InChIInChI=1S/C18H14INO3/c19-17-14-9-5-4-8-13(14)15(10-16(17)23-18(20)21)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,20,21)
InChIKeyISGYSNWVMNJBFO-UHFFFAOYSA-N
XLogP4.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.22
LogP ≤ 54.48
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

4-ethoxy-3-iodo-5-phenylmethoxybenzamide
CID 1008050
4-iodo-5-phenylmethoxybenzene-1,3-diol
CID 71339742
(3-fluoro-2-iodo-4-phenylmethoxyphenyl)methanol
CID 137378511
4,8-bis(phenylmethoxy)quinoline-2-carboxamide
CID 71567698
8-methyl-4-phenylmethoxynaphthalene-2-carboxylic acid
CID 118562139
5-bromo-2,4-bis(phenylmethoxy)benzoyl chloride
CID 77174849
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
2-(2-amino-4-phenylmethoxynaphthalen-1-yl)ethyl acetate
CID 11232944
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
5-chloro-2-iodo-1-phenylmethoxy-3-(trifluoromethoxy)benzene
CID 170171554
(4-phenylmethoxy-2-pyridinyl) carbamate
CID 175517268

Frequently Asked Questions

What is the IUPAC name of (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate?
The IUPAC name of (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate (CID 175264172) is (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate.
What is the SMILES notation for (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate?
The canonical SMILES for (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate is NC(=O)Oc1cc(OCc2ccccc2)c2ccccc2c1I.
What is the InChIKey of (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate?
The InChIKey is ISGYSNWVMNJBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO3/c19-17-14-9-5-4-8-13(14)15(10-16(17)23-18(20)21)22-11-12-6-2-1-3-7-12/h1-10H,11H2,(H2,20,21).
What are the key properties of (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate?
(1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate has a molecular weight of 419.22 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-iodo-4-phenylmethoxynaphthalen-2-yl) carbamate is sourced from PubChem (CID 175264172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).