1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol

C21H17NO — CID 139643503

IUPAC1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol
SMILESOC1Cc2ccccc2C(/C=C/c2ccc3ccccc3c2)=N1
InChIInChI=1S/C21H17NO/c23-21-14-18-7-3-4-8-19(18)20(22-21)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-13,21,23H,14H2/b12-10+
InChIKeyGGDVXTPMFRWCSZ-ZRDIBKRKSA-N
MW299.37 g/mol
LogP4.22
Rot. Bonds2

About 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol

1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol (PubChem CID 139643503) has the molecular formula C21H17NO and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol.

Molecular Properties

Compound Name1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol
PubChem CID139643503
Molecular FormulaC21H17NO
Molecular Weight299.37 g/mol
Exact Mass299.13
IUPAC Name1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol
SMILESOC1Cc2ccccc2C(/C=C/c2ccc3ccccc3c2)=N1
InChIInChI=1S/C21H17NO/c23-21-14-18-7-3-4-8-19(18)20(22-21)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-13,21,23H,14H2/b12-10+
InChIKeyGGDVXTPMFRWCSZ-ZRDIBKRKSA-N
XLogP4.22
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(4-Fluorophenyl)-3,4-dihydroisoquinolin-1-yl]methanol
CID 164004263
2-[(Naphthalen-1-ylmethylene)amino]-1-phenylethan1-ol
CID 134159652
(1R,2S)-1-phenyl-2-(pyren-1-ylmethylideneamino)propan-1-ol
CID 139186315
(2R)-2-[(7-fluoro-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-phenylethanol
CID 101111276
(2S,3S)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-(naphthalen-2-ylmethylideneamino)-1-phenylundecan-3-ol
CID 101464203
2-(1,2-Dihydrobenzo[f]isoquinolin-4-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 101624729
(2R)-2-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-phenylethanol
CID 11380086
2-(1-Phenyl-3,4-dihydroisoquinolin-3-yl)ethanol
CID 13069558
8-(1,4-dihydroxybutan-2-yl)-6-[(E)-2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)ethenyl]naphthalene-2-carbonitrile
CID 18680085
8-(1-hydroxy-3-methylbutyl)-6-[(E)-2-(1-propan-2-yl-3,4-dihydroisoquinolin-7-yl)ethenyl]naphthalene-2-carbonitrile
CID 18680109
[1-(3,5-Dimethylphenyl)-6,7-dimethyl-3,4-dihydroisoquinolin-3-yl]methanol
CID 18685799
3-(2-Hydroxy)ethyl 7-methyl 1-phenyl 3,4-dihydro isoquinoline
CID 20500933

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol?
The IUPAC name of 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol (CID 139643503) is 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol.
What is the SMILES notation for 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol?
The canonical SMILES for 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol is OC1Cc2ccccc2C(/C=C/c2ccc3ccccc3c2)=N1.
What is the InChIKey of 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol?
The InChIKey is GGDVXTPMFRWCSZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H17NO/c23-21-14-18-7-3-4-8-19(18)20(22-21)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-13,21,23H,14H2/b12-10+.
What are the key properties of 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol?
1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol has a molecular weight of 299.37 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-naphthalen-2-ylethenyl]-3,4-dihydroisoquinolin-3-ol is sourced from PubChem (CID 139643503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).