(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol

C16H22O — CID 125469630

IUPAC(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1CCCc1ccccc1
InChIInChI=1S/C16H22O/c17-16-14-10-9-13(11-14)15(16)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2/t13-,14+,15+,16+/m0/s1
InChIKeyZZRBNIDLFCYACB-ZJIFWQFVSA-N
MW230.35 g/mol
LogP3.42
Rot. Bonds4

About (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol

(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol (PubChem CID 125469630) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol
PubChem CID125469630
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol
SMILESO[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1CCCc1ccccc1
InChIInChI=1S/C16H22O/c17-16-14-10-9-13(11-14)15(16)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2/t13-,14+,15+,16+/m0/s1
InChIKeyZZRBNIDLFCYACB-ZJIFWQFVSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol with MolForge

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Related Compounds

(1R,2S,3R,4S)-3-(3-hydroxypropyl)bicyclo[2.2.1]heptan-2-ol
CID 11745067
(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol
CID 68909455
2-(3-phenylpropyl)-4-propan-2-ylcyclohexan-1-ol
CID 55194345
4-cyclopropylbutylbenzene
CID 10261592
2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
4-phenylbutylbenzene
CID 141301927
(1R,2R,3R,4S)-3-phenylbicyclo[2.2.1]heptan-2-ol
CID 131123237
5-cyclopropylpentylbenzene
CID 91089836
ethyl 2-[3-hydroxy-2-(3-phenylpropyl)cyclopentyl]acetate
CID 146603550
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
(2S,6S)-2-(2-phenylethyl)-6-(3-phenylpropyl)piperidine
CID 44563173
(3S,4S,6S)-2-methyl-6-(3-phenylpropyl)oxane-3,4,5-triol
CID 90823416

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol (CID 125469630) is (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol is O[C@@H]1[C@@H]2CC[C@@H](C2)[C@H]1CCCc1ccccc1.
What is the InChIKey of (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol?
The InChIKey is ZZRBNIDLFCYACB-ZJIFWQFVSA-N. The full InChI is InChI=1S/C16H22O/c17-16-14-10-9-13(11-14)15(16)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13-17H,4,7-11H2/t13-,14+,15+,16+/m0/s1.
What are the key properties of (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol?
(1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4S)-3-(3-phenylpropyl)bicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 125469630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).