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

C14H18 — CID 10397553

IUPAC(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
SMILESCc1ccccc1[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18/c1-10-4-2-3-5-13(10)14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3/t11-,12+,14+/m0/s1
InChIKeyWRTNCKUMHKXQRM-OUCADQQQSA-N
MW186.30 g/mol
LogP3.90
Rot. Bonds1

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

(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane (PubChem CID 10397553) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
PubChem CID10397553
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
SMILESCc1ccccc1[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H18/c1-10-4-2-3-5-13(10)14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3/t11-,12+,14+/m0/s1
InChIKeyWRTNCKUMHKXQRM-OUCADQQQSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
1-tert-butyl-2-methylbenzene;1-cyclobutyl-2-methylbenzene;1-cyclohexyl-2-methylbenzene;1-cyclopentyl-2-methylbenzene;2-(2-methylphenyl)bicyclo[2.2.1]heptane;1-methyl-2-propan-2-ylbenzene
CID 161369431
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
CID 170648879

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane (CID 10397553) is (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane is Cc1ccccc1[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane?
The InChIKey is WRTNCKUMHKXQRM-OUCADQQQSA-N. The full InChI is InChI=1S/C14H18/c1-10-4-2-3-5-13(10)14-9-11-6-7-12(14)8-11/h2-5,11-12,14H,6-9H2,1H3/t11-,12+,14+/m0/s1.
What are the key properties of (1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane?
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane has a molecular weight of 186.30 g/mol, XLogP of 3.90, 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-(2-methylphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 10397553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).