(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane

C19H20 — CID 16687687

IUPAC(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
SMILESc1ccc(-c2ccccc2[C@H]2C[C@@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C19H20/c1-2-6-15(7-3-1)17-8-4-5-9-18(17)19-13-14-10-11-16(19)12-14/h1-9,14,16,19H,10-13H2/t14-,16+,19+/m1/s1
InChIKeyZWKPYINNFKMLII-ALKREAHSSA-N
MW248.37 g/mol
LogP5.26
Rot. Bonds2

About (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane

(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane (PubChem CID 16687687) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
PubChem CID16687687
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
SMILESc1ccc(-c2ccccc2[C@H]2C[C@@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C19H20/c1-2-6-15(7-3-1)17-8-4-5-9-18(17)19-13-14-10-11-16(19)12-14/h1-9,14,16,19H,10-13H2/t14-,16+,19+/m1/s1
InChIKeyZWKPYINNFKMLII-ALKREAHSSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
9,14,19,23-tetrakis(2-phenylphenyl)heptacyclo[13.5.2.22,5.03,11.04,8.012,21.018,22]tetracosane
CID 91472155
N-[4-(2-bicyclo[2.2.1]heptanyl)-3-phenylphenyl]dibenzofuran-3-amine
CID 174329638
1-[(1R,2S)-2-methylcyclobutyl]-2-phenylbenzene
CID 162408890
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
N-[4-[4-(2-bicyclo[2.2.1]heptanyl)phenyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-phenylaniline
CID 170179842
CID 67656139
CID 67656139
5-(2-bicyclo[2.2.1]heptanyl)-2-phenylpyridine
CID 156655077

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane (CID 16687687) is (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane is c1ccc(-c2ccccc2[C@H]2C[C@@H]3CC[C@H]2C3)cc1.
What is the InChIKey of (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane?
The InChIKey is ZWKPYINNFKMLII-ALKREAHSSA-N. The full InChI is InChI=1S/C19H20/c1-2-6-15(7-3-1)17-8-4-5-9-18(17)19-13-14-10-11-16(19)12-14/h1-9,14,16,19H,10-13H2/t14-,16+,19+/m1/s1.
What are the key properties of (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane?
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane has a molecular weight of 248.37 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 16687687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).