(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol

C16H24O2 — CID 10106081

IUPAC(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol
SMILESCC1(C)CCC[C@]2(C)[C@H]1CC[C@]2(O)c1ccoc1
InChIInChI=1S/C16H24O2/c1-14(2)7-4-8-15(3)13(14)5-9-16(15,17)12-6-10-18-11-12/h6,10-11,13,17H,4-5,7-9H2,1-3H3/t13-,15+,16-/m0/s1
InChIKeyPSVMCCIAGQGZBX-IMJJTQAJSA-N
MW248.37 g/mol
LogP4.09
Rot. Bonds1

About (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol

(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol (PubChem CID 10106081) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol.

Molecular Properties

Compound Name(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol
PubChem CID10106081
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol
SMILESCC1(C)CCC[C@]2(C)[C@H]1CC[C@]2(O)c1ccoc1
InChIInChI=1S/C16H24O2/c1-14(2)7-4-8-15(3)13(14)5-9-16(15,17)12-6-10-18-11-12/h6,10-11,13,17H,4-5,7-9H2,1-3H3/t13-,15+,16-/m0/s1
InChIKeyPSVMCCIAGQGZBX-IMJJTQAJSA-N
XLogP4.09
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79927740
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CID 57312240
(3S,4R,4aS)-4-[2-(furan-3-yl)ethyl]-4-hydroxy-3,4a,8,8-tetramethyl-1,3,5,6,7,8a-hexahydronaphthalen-2-one
CID 24867649
(3aR,5aS,9aS,9bR)-9b-fluoro-3a-hydroxy-6,6,9a-trimethyl-4,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-3-one
CID 46218502
1-(furan-3-yl)cyclopentan-1-ol
CID 63949570
1-[2-(furan-3-yl)-2-hydroxyethyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
CID 14845525
3-(furan-3-yl)-3-methylcyclopentan-1-amine
CID 116538755
3a,6,6,9a-tetramethyl-1,2,4,5,5a,7,8,9-octahydrobenzo[e][1]benzofuran-9b-ol
CID 57019683
(1R,2S,4aR,4bS,8aS,10aS)-1-[2-(furan-3-yl)ethyl]-4b,8,8,10a-tetramethyl-2,3,4,4a,5,6,7,8a,9,10-decahydro-1H-phenanthren-2-ol
CID 71681688
(1S,2R,4R)-2-(furan-3-yl)-5,8,8-trimethylbicyclo[2.2.2]oct-5-en-2-ol
CID 10421461
1-(furan-3-yl)-2-methoxycyclohexan-1-ol
CID 106873777
(3S,8R,9S,10S,13S,14S,17S)-17-(furan-3-yl)-10,13-dimethyl-3-[2-(2-pyrrolidin-1-ylethoxy)ethylsulfanyl]-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-ol
CID 67748368

Frequently Asked Questions

What is the IUPAC name of (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol?
The IUPAC name of (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol (CID 10106081) is (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol.
What is the SMILES notation for (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol?
The canonical SMILES for (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol is CC1(C)CCC[C@]2(C)[C@H]1CC[C@]2(O)c1ccoc1.
What is the InChIKey of (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol?
The InChIKey is PSVMCCIAGQGZBX-IMJJTQAJSA-N. The full InChI is InChI=1S/C16H24O2/c1-14(2)7-4-8-15(3)13(14)5-9-16(15,17)12-6-10-18-11-12/h6,10-11,13,17H,4-5,7-9H2,1-3H3/t13-,15+,16-/m0/s1.
What are the key properties of (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol?
(1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol has a molecular weight of 248.37 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,7aR)-1-(furan-3-yl)-4,4,7a-trimethyl-2,3,3a,5,6,7-hexahydroinden-1-ol is sourced from PubChem (CID 10106081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).