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

C14H18O — CID 101158229

IUPAC(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
SMILESCOc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C14H18O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3/t10-,12+,14-/m0/s1
InChIKeyZFPJNAAGDQCSMO-SUHUHFCYSA-N
MW202.30 g/mol
LogP3.60
Rot. Bonds2

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

(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane (PubChem CID 101158229) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
PubChem CID101158229
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
SMILESCOc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)cc1
InChIInChI=1S/C14H18O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3/t10-,12+,14-/m0/s1
InChIKeyZFPJNAAGDQCSMO-SUHUHFCYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
CID 65018013
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
ethyl 4-[4-(2-bicyclo[2.2.1]heptanyl)phenoxy]benzoate
CID 146325411
methyl 2-[4-[4-(2-bicyclo[2.2.1]heptanyl)-N-methylanilino]anilino]-5-methoxybenzoate
CID 155133671
(1R,2S,4S)-N-[2-(4-methoxyphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 784416
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] 4-methoxybenzoate
CID 11817452
2-ethyl-3-(4-methoxyphenyl)cyclobutan-1-ol
CID 81416193
1-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 11897044
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane (CID 101158229) is (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane is COc1ccc([C@@H]2C[C@H]3CC[C@@H]2C3)cc1.
What is the InChIKey of (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
The InChIKey is ZFPJNAAGDQCSMO-SUHUHFCYSA-N. The full InChI is InChI=1S/C14H18O/c1-15-13-6-4-11(5-7-13)14-9-10-2-3-12(14)8-10/h4-7,10,12,14H,2-3,8-9H2,1H3/t10-,12+,14-/m0/s1.
What are the key properties of (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane?
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane has a molecular weight of 202.30 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 101158229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).