(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol

C13H18O3 — CID 79837577

IUPAC(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCOc1cc(OC)c2c(c1)[C@H](O)CC2(C)C
InChIInChI=1S/C13H18O3/c1-13(2)7-10(14)9-5-8(15-3)6-11(16-4)12(9)13/h5-6,10,14H,7H2,1-4H3/t10-/m1/s1
InChIKeyFGENOPSUVPWDRG-SNVBAGLBSA-N
MW222.28 g/mol
LogP2.42
Rot. Bonds2

About (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol

(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 79837577) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID79837577
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCOc1cc(OC)c2c(c1)[C@H](O)CC2(C)C
InChIInChI=1S/C13H18O3/c1-13(2)7-10(14)9-5-8(15-3)6-11(16-4)12(9)13/h5-6,10,14H,7H2,1-4H3/t10-/m1/s1
InChIKeyFGENOPSUVPWDRG-SNVBAGLBSA-N
XLogP2.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,4R)-2-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-7,7-dimethyl-1-bicyclo[2.2.1]hept-2-enyl]methanol
CID 67207173
Cannabispirenone A
CID 182364
Zinniol
CID 87317
beta-Cannabispiranol
CID 194174
MP-2001
CID 22296422
Maristachone A
CID 71658646
Maristachone B
CID 71658647
Cannabispiran
CID 162936
Hericenol A
CID 10403738
Zinnol
CID 85691048
4-Hydroxy-6-methoxyspiro[1,2-dihydroindene-3,4'-cyclohexa-2,5-diene]-1'-one
CID 90475437
(1R,4S)-(2-(2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl)-7,7-dimethylbicyclo[2.2.1]hept-2-en-1-yl)methanol
CID 52936282

Frequently Asked Questions

What is the IUPAC name of (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 79837577) is (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol is COc1cc(OC)c2c(c1)[C@H](O)CC2(C)C.
What is the InChIKey of (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is FGENOPSUVPWDRG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(2)7-10(14)9-5-8(15-3)6-11(16-4)12(9)13/h5-6,10,14H,7H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 222.28 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79837577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).