(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane

C15H20 — CID 101176008

IUPAC(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
SMILESCc1cc(C)cc([C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H20/c1-10-5-11(2)7-14(6-10)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3/t12-,13+,15+/m0/s1
InChIKeyHKZQEMJJXPBBEO-GZBFAFLISA-N
MW200.32 g/mol
LogP4.21
Rot. Bonds1

About (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane

(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane (PubChem CID 101176008) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
PubChem CID101176008
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
SMILESCc1cc(C)cc([C@@H]2C[C@H]3CC[C@@H]2C3)c1
InChIInChI=1S/C15H20/c1-10-5-11(2)7-14(6-10)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3/t12-,13+,15+/m0/s1
InChIKeyHKZQEMJJXPBBEO-GZBFAFLISA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylthiophene
CID 121002337
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
6-[(4R)-2-bicyclo[2.2.1]heptanyl]-1-hydroxy-4-methylpyridin-2-one
CID 139554315
2,6-bis(2-bicyclo[2.2.1]heptanyl)-10-N-(3,5-dimethylphenyl)-9-N,9-N,10-N-tris(3-methylphenyl)anthracene-9,10-diamine
CID 59546742
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
3-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzonitrile
CID 16688303
2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane
CID 169322267
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774532
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(3,5-dimethylphenyl)acetamide
CID 7774533

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane (CID 101176008) is (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane is Cc1cc(C)cc([C@@H]2C[C@H]3CC[C@@H]2C3)c1.
What is the InChIKey of (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane?
The InChIKey is HKZQEMJJXPBBEO-GZBFAFLISA-N. The full InChI is InChI=1S/C15H20/c1-10-5-11(2)7-14(6-10)15-9-12-3-4-13(15)8-12/h5-7,12-13,15H,3-4,8-9H2,1-2H3/t12-,13+,15+/m0/s1.
What are the key properties of (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane?
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane has a molecular weight of 200.32 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 101176008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).