5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene

C107H130O4 — CID 159451891

IUPAC5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCCCc1ccccc1.C1=CC2CC1CC2CCCc1ccccc1.C1=CC2CC1CC2CCOc1ccccc1.C1=CC2CC1CC2CCc1ccccc1.C1=CC2CC1CC2COCc1ccccc1.C1=CC2CC1CC2COc1ccccc1.C1=CC2CC1CC2OCCc1ccccc1
InChIInChI=1S/C17H22.C16H20.3C15H18O.C15H18.C14H16O/c1-2-6-14(7-3-1)8-4-5-9-16-12-15-10-11-17(16)13-15;1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14;1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13;1-2-4-15(5-3-1)16-9-8-14-11-12-6-7-13(14)10-12;1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13;1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13;1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-3,6-7,10-11,15-17H,4-5,8-9,12-13H2;1-3,5-6,9-10,14-16H,4,7-8,11-12H2;1-7,13-15H,8-11H2;1-7,12-14H,8-11H2;1-7,13-15H,8-11H2;1-5,7,9,13-15H,6,8,10-11H2;1-7,11-13H,8-10H2
InChIKeyLTMFNEPMSSNJTI-UHFFFAOYSA-N
MW1480.21 g/mol
LogP26.24
Rot. Bonds27

About 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene

5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 159451891) has the molecular formula C107H130O4 and a molecular weight of 1480.21 g/mol. Its IUPAC name is 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene
PubChem CID159451891
Molecular FormulaC107H130O4
Molecular Weight1480.21 g/mol
Exact Mass1479.00
IUPAC Name5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene
SMILESC1=CC2CC1CC2CCCCc1ccccc1.C1=CC2CC1CC2CCCc1ccccc1.C1=CC2CC1CC2CCOc1ccccc1.C1=CC2CC1CC2CCc1ccccc1.C1=CC2CC1CC2COCc1ccccc1.C1=CC2CC1CC2COc1ccccc1.C1=CC2CC1CC2OCCc1ccccc1
InChIInChI=1S/C17H22.C16H20.3C15H18O.C15H18.C14H16O/c1-2-6-14(7-3-1)8-4-5-9-16-12-15-10-11-17(16)13-15;1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14;1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13;1-2-4-15(5-3-1)16-9-8-14-11-12-6-7-13(14)10-12;1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13;1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13;1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-3,6-7,10-11,15-17H,4-5,8-9,12-13H2;1-3,5-6,9-10,14-16H,4,7-8,11-12H2;1-7,13-15H,8-11H2;1-7,12-14H,8-11H2;1-7,13-15H,8-11H2;1-5,7,9,13-15H,6,8,10-11H2;1-7,11-13H,8-10H2
InChIKeyLTMFNEPMSSNJTI-UHFFFAOYSA-N
XLogP26.24
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds27
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001480.21
LogP ≤ 526.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene (CID 159451891) is 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene is C1=CC2CC1CC2CCCCc1ccccc1.C1=CC2CC1CC2CCCc1ccccc1.C1=CC2CC1CC2CCOc1ccccc1.C1=CC2CC1CC2CCc1ccccc1.C1=CC2CC1CC2COCc1ccccc1.C1=CC2CC1CC2COc1ccccc1.C1=CC2CC1CC2OCCc1ccccc1.
What is the InChIKey of 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is LTMFNEPMSSNJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22.C16H20.3C15H18O.C15H18.C14H16O/c1-2-6-14(7-3-1)8-4-5-9-16-12-15-10-11-17(16)13-15;1-2-5-13(6-3-1)7-4-8-15-11-14-9-10-16(15)12-14;1-2-4-12(5-3-1)10-16-11-15-9-13-6-7-14(15)8-13;1-2-4-15(5-3-1)16-9-8-14-11-12-6-7-13(14)10-12;1-2-4-12(5-3-1)8-9-16-15-11-13-6-7-14(15)10-13;1-2-4-12(5-3-1)6-8-14-10-13-7-9-15(14)11-13;1-2-4-14(5-3-1)15-10-13-9-11-6-7-12(13)8-11/h1-3,6-7,10-11,15-17H,4-5,8-9,12-13H2;1-3,5-6,9-10,14-16H,4,7-8,11-12H2;1-7,13-15H,8-11H2;1-7,12-14H,8-11H2;1-7,13-15H,8-11H2;1-5,7,9,13-15H,6,8,10-11H2;1-7,11-13H,8-10H2.
What are the key properties of 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene?
5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 1480.21 g/mol, XLogP of 26.24, 27 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyethyl)bicyclo[2.2.1]hept-2-ene;5-(phenoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(4-phenylbutyl)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethoxy)bicyclo[2.2.1]hept-2-ene;5-(2-phenylethyl)bicyclo[2.2.1]hept-2-ene;5-(phenylmethoxymethyl)bicyclo[2.2.1]hept-2-ene;5-(3-phenylpropyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 159451891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).