(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol

C18H16O3 — CID 6447016

IUPAC(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
SMILESOC1/C(=C/c2ccc3c(c2)OCO3)CCc2ccccc21
InChIInChI=1S/C18H16O3/c19-18-14(7-6-13-3-1-2-4-15(13)18)9-12-5-8-16-17(10-12)21-11-20-16/h1-5,8-10,18-19H,6-7,11H2/b14-9+
InChIKeyKSWUDOJCFHYMNZ-NTEUORMPSA-N
MW280.32 g/mol
LogP3.48
Rot. Bonds1

About (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol

(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol (PubChem CID 6447016) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol.

Molecular Properties

Compound Name(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
PubChem CID6447016
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
SMILESOC1/C(=C/c2ccc3c(c2)OCO3)CCc2ccccc21
InChIInChI=1S/C18H16O3/c19-18-14(7-6-13-3-1-2-4-15(13)18)9-12-5-8-16-17(10-12)21-11-20-16/h1-5,8-10,18-19H,6-7,11H2/b14-9+
InChIKeyKSWUDOJCFHYMNZ-NTEUORMPSA-N
XLogP3.48
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol
CID 20840675
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)cyclopentan-1-ol
CID 6447014
(9S)-2-(1,3-benzodioxol-5-ylmethylideneamino)-9H-fluoren-9-ol
CID 92537798
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-4-methylcyclohexan-1-ol
CID 20840673
(E)-3-(1,3-benzodioxol-5-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2449357
(2S,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977118
(2R,3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-2-phenylchromen-4-one
CID 6977119
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
5-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-(2,3-dihydro-1H-inden-1-yl)-1,2,4-oxadiazole
CID 167788145
4-(1,3-benzodioxol-5-ylmethylidene)-1-phenylpyrazolidine-3,5-diol
CID 2755549
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
4-(1,3-benzodioxol-5-ylmethylidene)piperidine-1-carboxylic acid
CID 151428505

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol?
The IUPAC name of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol (CID 6447016) is (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol.
What is the SMILES notation for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol?
The canonical SMILES for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol is OC1/C(=C/c2ccc3c(c2)OCO3)CCc2ccccc21.
What is the InChIKey of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol?
The InChIKey is KSWUDOJCFHYMNZ-NTEUORMPSA-N. The full InChI is InChI=1S/C18H16O3/c19-18-14(7-6-13-3-1-2-4-15(13)18)9-12-5-8-16-17(10-12)21-11-20-16/h1-5,8-10,18-19H,6-7,11H2/b14-9+.
What are the key properties of (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol?
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol has a molecular weight of 280.32 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1,3-benzodioxol-5-ylmethylidene)-3,4-dihydro-1H-naphthalen-1-ol is sourced from PubChem (CID 6447016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).