(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C15H22O3 — CID 100951242

IUPAC(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2C(O)c1ccco1
InChIInChI=1S/C15H22O3/c1-14(2)9-6-7-15(14,3)13(17)11(9)12(16)10-5-4-8-18-10/h4-5,8-9,11-13,16-17H,6-7H2,1-3H3/t9-,11+,12?,13-,15+/m1/s1
InChIKeyBXJQRUYNAAVLDH-PTZXVTCASA-N
MW250.34 g/mol
LogP2.75
Rot. Bonds2

About (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 100951242) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID100951242
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2C(O)c1ccco1
InChIInChI=1S/C15H22O3/c1-14(2)9-6-7-15(14,3)13(17)11(9)12(16)10-5-4-8-18-10/h4-5,8-9,11-13,16-17H,6-7H2,1-3H3/t9-,11+,12?,13-,15+/m1/s1
InChIKeyBXJQRUYNAAVLDH-PTZXVTCASA-N
XLogP2.75
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R,3R,4R)-3-[(R)-hydroxy(pyridin-2-yl)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 10849014
(1R,2S,3R,4S)-3-benzhydryl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124677295
furan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115797501
(S)-cyclopropyl(furan-2-yl)methanol
CID 39235067
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
CID 107192265
3-[furan-2-yl(hydroxy)methyl]-2,2,6,6-tetramethylpiperidin-4-ol
CID 23823128
furan-2-yl(piperidin-4-yl)methanol
CID 55269917
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(R)-[(1R,3R,5R)-6,6-dimethyl-2-methylidene-3-bicyclo[3.1.1]heptanyl]-(furan-2-yl)methanol
CID 122525698
(2-ethylcyclohexyl)-(furan-2-yl)methanol
CID 63861285
furan-2-yl-[(2R)-pyrrolidin-2-yl]methanol
CID 164662005

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 100951242) is (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@@H]2CC[C@@]1(C)[C@H](O)[C@@H]2C(O)c1ccco1.
What is the InChIKey of (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is BXJQRUYNAAVLDH-PTZXVTCASA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)9-6-7-15(14,3)13(17)11(9)12(16)10-5-4-8-18-10/h4-5,8-9,11-13,16-17H,6-7H2,1-3H3/t9-,11+,12?,13-,15+/m1/s1.
What are the key properties of (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 100951242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).