(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid

C14H16O2 — CID 93484070

IUPAC(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H16O2/c15-13(16)14(11-4-2-1-3-5-11)9-10-6-7-12(14)8-10/h1-5,10,12H,6-9H2,(H,15,16)/t10-,12+,14-/m0/s1
InChIKeyFODOCVXEWGKNJA-SUHUHFCYSA-N
MW216.28 g/mol
LogP2.83
Rot. Bonds2

About (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 93484070) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID93484070
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)[C@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C14H16O2/c15-13(16)14(11-4-2-1-3-5-11)9-10-6-7-12(14)8-10/h1-5,10,12H,6-9H2,(H,15,16)/t10-,12+,14-/m0/s1
InChIKeyFODOCVXEWGKNJA-SUHUHFCYSA-N
XLogP2.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2S,4R)-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 98544518
(1S,4R,5R)-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 125485610
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
(2-phenyl-2-bicyclo[2.2.1]heptanyl)methanamine
CID 117194213
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
2-(hydroxymethyl)-1-phenylcyclohexane-1-carboxylic acid
CID 175258328
1-methyl-3-(2-methyl-2-bicyclo[2.2.1]heptanyl)-1-phenylurea
CID 13474871
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
trans-(1R,3R)-3-(1-phenylcyclopropyl)cyclopentane-1-carboxylic acid
CID 157371418
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
CID 10721413
ethyl 2-[(2-phenylbicyclo[2.2.1]heptane-2-carbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate
CID 68906731

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 93484070) is (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)[C@]1(c2ccccc2)C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is FODOCVXEWGKNJA-SUHUHFCYSA-N. The full InChI is InChI=1S/C14H16O2/c15-13(16)14(11-4-2-1-3-5-11)9-10-6-7-12(14)8-10/h1-5,10,12H,6-9H2,(H,15,16)/t10-,12+,14-/m0/s1.
What are the key properties of (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2-phenylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 93484070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).