(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol

C16H22O — CID 10721413

IUPAC(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)C2
InChIInChI=1S/C16H22O/c1-14(2)13-9-10-15(14,3)16(17,11-13)12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3/t13-,15-,16+/m1/s1
InChIKeyGJOSGKNJWBGNSY-BMFZPTHFSA-N
MW230.35 g/mol
LogP3.72
Rot. Bonds1

About (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol

(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol (PubChem CID 10721413) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
PubChem CID10721413
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)C2
InChIInChI=1S/C16H22O/c1-14(2)13-9-10-15(14,3)16(17,11-13)12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3/t13-,15-,16+/m1/s1
InChIKeyGJOSGKNJWBGNSY-BMFZPTHFSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1,7,7-trimethyl-2-thiophen-2-ylbicyclo[2.2.1]heptan-2-ol
CID 20530285
(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl) propanoate
CID 150437541
(2R)-2-hydroxy-N,N-dimethyl-2-(1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 70252297
N-benzyl-1-(2-hydroxy-7,7-dimethyl-2-phenyl-1-bicyclo[2.2.1]heptanyl)methanesulfonamide
CID 74033664
1,7,7-trimethyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]bicyclo[2.2.1]heptan-2-ol
CID 139724938
2-(2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-2-phenoxypropanoic acid
CID 141410089
N,N-dimethyl-2-[[(1R,2S,4R)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine;formic acid
CID 135372856
[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-[(1R,2S,3S,4S)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 101198515
N,N-dimethyl-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-phenyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanamine
CID 98050284
2-(hydroxymethyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10130254
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
CID 139233760
CID 139233760

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol (CID 10721413) is (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@@](O)(c1ccccc1)C2.
What is the InChIKey of (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is GJOSGKNJWBGNSY-BMFZPTHFSA-N. The full InChI is InChI=1S/C16H22O/c1-14(2)13-9-10-15(14,3)16(17,11-13)12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3/t13-,15-,16+/m1/s1.
What are the key properties of (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol?
(1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 230.35 g/mol, XLogP of 3.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-1,7,7-trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 10721413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).