(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile

C20H14INO — CID 126377624

IUPAC(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
SMILESCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1
InChIInChI=1S/C20H14INO/c1-23-20-11-8-15-4-2-3-5-18(15)19(20)12-16(13-22)14-6-9-17(21)10-7-14/h2-12H,1H3/b16-12+
InChIKeyVCFVUJGDFFBJNV-FOWTUZBSSA-N
MW411.24 g/mol
LogP5.52
Rot. Bonds3

About (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile

(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile (PubChem CID 126377624) has the molecular formula C20H14INO and a molecular weight of 411.24 g/mol. Its IUPAC name is (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
PubChem CID126377624
Molecular FormulaC20H14INO
Molecular Weight411.24 g/mol
Exact Mass411.01
IUPAC Name(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
SMILESCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1
InChIInChI=1S/C20H14INO/c1-23-20-11-8-15-4-2-3-5-18(15)19(20)12-16(13-22)14-6-9-17(21)10-7-14/h2-12H,1H3/b16-12+
InChIKeyVCFVUJGDFFBJNV-FOWTUZBSSA-N
XLogP5.52
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.24
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-(4-bromophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 2243420
(Z)-2-(4-bromophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 2243419
(E)-2-(1,3-benzothiazol-2-yl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 6117315
(Z)-2-cyano-3-(2-methoxynaphthalen-1-yl)-N-methylprop-2-enamide
CID 19183485
(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 17392536
(E)-3-(4-hydroxy-3-methoxyphenyl)-2-(4-iodophenyl)prop-2-enenitrile
CID 126373200
2-(4-chlorophenyl)sulfonyl-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile
CID 3290672
(E)-3-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]-2-(4-iodophenyl)prop-2-enenitrile
CID 126377301
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
(Z)-2-(1,3-benzodioxol-5-yl)-3-(2-propoxynaphthalen-1-yl)prop-2-enenitrile
CID 126364295
2-cyano-3-(2-methoxynaphthalen-1-yl)-N-(4-methylphenyl)prop-2-enamide
CID 3578383
N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile (CID 126377624) is (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile is COc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1.
What is the InChIKey of (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
The InChIKey is VCFVUJGDFFBJNV-FOWTUZBSSA-N. The full InChI is InChI=1S/C20H14INO/c1-23-20-11-8-15-4-2-3-5-18(15)19(20)12-16(13-22)14-6-9-17(21)10-7-14/h2-12H,1H3/b16-12+.
What are the key properties of (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile?
(Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile has a molecular weight of 411.24 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-iodophenyl)-3-(2-methoxynaphthalen-1-yl)prop-2-enenitrile is sourced from PubChem (CID 126377624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).