(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran

C12H16O2 — CID 166439561

IUPAC(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran
SMILESCOc1ccc2c(c1)C(C)(C)O[C@@H]2C
InChIInChI=1S/C12H16O2/c1-8-10-6-5-9(13-4)7-11(10)12(2,3)14-8/h5-8H,1-4H3/t8-/m1/s1
InChIKeyOPPYKGCZSAVYRY-MRVPVSSYSA-N
MW192.26 g/mol
LogP3.02
Rot. Bonds1

About (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran

(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran (PubChem CID 166439561) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran.

Molecular Properties

Compound Name(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran
PubChem CID166439561
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran
SMILESCOc1ccc2c(c1)C(C)(C)O[C@@H]2C
InChIInChI=1S/C12H16O2/c1-8-10-6-5-9(13-4)7-11(10)12(2,3)14-8/h5-8H,1-4H3/t8-/m1/s1
InChIKeyOPPYKGCZSAVYRY-MRVPVSSYSA-N
XLogP3.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
CID 164668460
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 54098142
(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 71528122
(4aR,10bS)-9-methoxy-2,6,6-trimethyl-3,4,4a,10b-tetrahydro-1H-isochromeno[4,3-c]pyridine
CID 22806491
(1R,3R)-6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 96722646
(3R)-1-hydroxy-6-methoxy-3-methyl-3H-2,1-benzoxaborole
CID 125426923
6-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline
CID 64687418
2-(2,2-dimethylcyclopropyl)-5-methoxyaniline
CID 121014201
5,5'-dimethoxy-3,3'-spirobi[2H-1-benzofuran]
CID 14070048
2-amino-6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-ol
CID 84623934
(1R,2R,10S,11S)-6-methoxy-2,10-dimethyl-18-oxapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaen-9-one
CID 23255028
5-methoxy-1,3,3-trimethylindol-1-ium
CID 68591089

Frequently Asked Questions

What is the IUPAC name of (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran?
The IUPAC name of (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran (CID 166439561) is (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran.
What is the SMILES notation for (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran?
The canonical SMILES for (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran is COc1ccc2c(c1)C(C)(C)O[C@@H]2C.
What is the InChIKey of (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran?
The InChIKey is OPPYKGCZSAVYRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-10-6-5-9(13-4)7-11(10)12(2,3)14-8/h5-8H,1-4H3/t8-/m1/s1.
What are the key properties of (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran?
(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran has a molecular weight of 192.26 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran is sourced from PubChem (CID 166439561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).