1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol

C18H13IO — CID 132502188

IUPAC1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C(=C/I)c1ccccc1
InChIInChI=1S/C18H13IO/c19-12-16(13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-17(18)20/h1-12,20H/b16-12+
InChIKeyNUBJEFOFHWYGGF-FOWTUZBSSA-N
MW372.21 g/mol
LogP5.37
Rot. Bonds2

About 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol

1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol (PubChem CID 132502188) has the molecular formula C18H13IO and a molecular weight of 372.21 g/mol. Its IUPAC name is 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
PubChem CID132502188
Molecular FormulaC18H13IO
Molecular Weight372.21 g/mol
Exact Mass372.00
IUPAC Name1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1/C(=C/I)c1ccccc1
InChIInChI=1S/C18H13IO/c19-12-16(13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-17(18)20/h1-12,20H/b16-12+
InChIKeyNUBJEFOFHWYGGF-FOWTUZBSSA-N
XLogP5.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.21
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
(E)-4-(2-hydroxynaphthalen-1-yl)-4-oxobut-2-enoic acid
CID 82263015
2-hydroxy-N,N-dimethylnaphthalene-1-carboxamide
CID 23279236
benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
1-iodonaphthalen-2-ol
CID 16250
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
1-[(E)-N-hydroxy-C-methylcarbonimidoyl]naphthalen-2-ol
CID 135766896
2-hydroxynaphthalene-1-carboxylic acid;naphthalene-1-sulfonic acid
CID 175565769
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
CID 56688148
N'-(2-hydroxynaphthalene-1-carbonyl)pyridine-3-carbohydrazide
CID 153395646
N-(diaminomethylidene)-2-hydroxynaphthalene-1-carboxamide;hydrate;hydrochloride
CID 22447281
N-(2-hydroxynaphthalen-1-yl)-N-methylbenzamide
CID 102142078

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol?
The IUPAC name of 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol (CID 132502188) is 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol?
The canonical SMILES for 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol is Oc1ccc2ccccc2c1/C(=C/I)c1ccccc1.
What is the InChIKey of 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol?
The InChIKey is NUBJEFOFHWYGGF-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H13IO/c19-12-16(13-6-2-1-3-7-13)18-15-9-5-4-8-14(15)10-11-17(18)20/h1-12,20H/b16-12+.
What are the key properties of 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol?
1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol has a molecular weight of 372.21 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-iodo-1-phenylethenyl]naphthalen-2-ol is sourced from PubChem (CID 132502188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).