1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol

C25H19IO2 — CID 132502192

IUPAC1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(O)c(/C(=C/I)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H19IO2/c1-28-19-13-11-18(12-14-19)22-15-24(27)25(21-10-6-5-9-20(21)22)23(16-26)17-7-3-2-4-8-17/h2-16,27H,1H3/b23-16+
InChIKeyKMBHUQQBBVVVFM-XQNSMLJCSA-N
MW478.33 g/mol
LogP7.05
Rot. Bonds4

About 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol

1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol (PubChem CID 132502192) has the molecular formula C25H19IO2 and a molecular weight of 478.33 g/mol. Its IUPAC name is 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol
PubChem CID132502192
Molecular FormulaC25H19IO2
Molecular Weight478.33 g/mol
Exact Mass478.04
IUPAC Name1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol
SMILESCOc1ccc(-c2cc(O)c(/C(=C/I)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C25H19IO2/c1-28-19-13-11-18(12-14-19)22-15-24(27)25(21-10-6-5-9-20(21)22)23(16-26)17-7-3-2-4-8-17/h2-16,27H,1H3/b23-16+
InChIKeyKMBHUQQBBVVVFM-XQNSMLJCSA-N
XLogP7.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.33
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-2-(4-methoxyphenyl)-5-phenylphenol
CID 139590135
N-(2,2-diphenylethenyl)-4-[4-[N-(2,2-diphenylethenyl)-4-methoxyanilino]phenyl]-N-(4-methoxyphenyl)aniline
CID 59408569
3-hydroxy-4-(4-methoxyphenyl)benzoic acid
CID 53225437
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
1-[2-(4-methoxyphenyl)phenyl]-2-phenylethane-1,2-dione
CID 70106493
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
methyl 2-hydroxy-4-methoxy-6-[(E)-1-phenylprop-1-enyl]benzoate
CID 141326793
2-(4-methoxyphenyl)-6-oxo-4-phenyl-1H-pyridine-3-carboxylic acid
CID 102419366
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
[2-hydroxy-5-[12-(3-methoxyphenyl)chrysen-6-yl]phenyl]-phenylmethanone
CID 138600690

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol (CID 132502192) is 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol is COc1ccc(-c2cc(O)c(/C(=C/I)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol?
The InChIKey is KMBHUQQBBVVVFM-XQNSMLJCSA-N. The full InChI is InChI=1S/C25H19IO2/c1-28-19-13-11-18(12-14-19)22-15-24(27)25(21-10-6-5-9-20(21)22)23(16-26)17-7-3-2-4-8-17/h2-16,27H,1H3/b23-16+.
What are the key properties of 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol?
1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol has a molecular weight of 478.33 g/mol, XLogP of 7.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-iodo-1-phenylethenyl]-4-(4-methoxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 132502192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).