(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene

C14H16O — CID 102014475

IUPAC(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCOc1ccc([C@@H]2C[C@@H]3C=C[C@H]2C3)cc1
InChIInChI=1S/C14H16O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h2-7,10,12,14H,8-9H2,1H3/t10-,12+,14+/m1/s1
InChIKeyUZPIVOZEMOLAMI-OSMZGAPFSA-N
MW200.28 g/mol
LogP3.37
Rot. Bonds2

About (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene

(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene (PubChem CID 102014475) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
PubChem CID102014475
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
SMILESCOc1ccc([C@@H]2C[C@@H]3C=C[C@H]2C3)cc1
InChIInChI=1S/C14H16O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h2-7,10,12,14H,8-9H2,1H3/t10-,12+,14+/m1/s1
InChIKeyUZPIVOZEMOLAMI-OSMZGAPFSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(1S)-2-bicyclo[2.2.1]hept-5-enyl]pyridine
CID 58543813
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
[4-(2-bicyclo[2.2.1]hept-5-enyl)phenyl] 4-ethoxybenzoate
CID 152526129
[4-[(4R)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 88878262
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-methoxyaniline
CID 43766014
3-(4-methoxyphenyl)-2,3-dihydro-1H-pyrazole
CID 154417745
1-[(1R,2S)-2-(4-methoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558393
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 58606780
[(1R)-2-(4-methoxyphenyl)cyclopropyl]methanol
CID 130347062
(1R)-N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 81371542

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene (CID 102014475) is (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene is COc1ccc([C@@H]2C[C@@H]3C=C[C@H]2C3)cc1.
What is the InChIKey of (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
The InChIKey is UZPIVOZEMOLAMI-OSMZGAPFSA-N. The full InChI is InChI=1S/C14H16O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h2-7,10,12,14H,8-9H2,1H3/t10-,12+,14+/m1/s1.
What are the key properties of (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene?
(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene has a molecular weight of 200.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 102014475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).