5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol

C17H16O — CID 155012089

IUPAC5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2C=CC1C(c1cccc3ccccc13)C2
InChIInChI=1S/C17H16O/c18-17-12-8-9-15(17)16(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,12,15-18H,10H2
InChIKeyNNIOQJBYOZQXTE-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.49
Rot. Bonds1

About 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol

5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 155012089) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol
PubChem CID155012089
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2C=CC1C(c1cccc3ccccc13)C2
InChIInChI=1S/C17H16O/c18-17-12-8-9-15(17)16(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,12,15-18H,10H2
InChIKeyNNIOQJBYOZQXTE-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-ylcyclopropan-1-amine
CID 43810345
naphthalen-1-yl 7-hydroxybicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 155012060
5-(3-methylphenyl)bicyclo[2.2.1]hept-2-en-7-ol
CID 155012096
methyl (2-naphthalen-1-ylcyclopropyl)sulfanylformate
CID 88767200
(2R,3S)-2-naphthalen-1-ylazetidin-3-ol
CID 124638979
5-naphthalen-1-yl-5H-tetrazole
CID 174663110
(1R,2S,13R,14R)-pentacyclo[12.2.1.02,13.03,12.04,9]heptadeca-3(12),4,6,8,10,15-hexaene
CID 154715457
1-cyclohexa-2,5-dien-1-ylnaphthalene
CID 15535611
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(3R,5R)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 174024474
(2R,3S)-2-(hydroxymethyl)-5-naphthalen-1-yloxolan-3-ol
CID 66870779
2-naphthalen-1-yl-1,4-dithiane
CID 54325650

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol (CID 155012089) is 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol is OC1C2C=CC1C(c1cccc3ccccc13)C2.
What is the InChIKey of 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is NNIOQJBYOZQXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c18-17-12-8-9-15(17)16(10-12)14-7-3-5-11-4-1-2-6-13(11)14/h1-9,12,15-18H,10H2.
What are the key properties of 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol?
5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 236.31 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylbicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 155012089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).