(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran

C19H22O4 — CID 164668460

IUPAC(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
SMILESCOc1ccc([C@@H]2OC(C)(C)c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H22O4/c1-19(2)15-11-17(22-5)16(21-4)10-14(15)18(23-19)12-6-8-13(20-3)9-7-12/h6-11,18H,1-5H3/t18-/m0/s1
InChIKeyBNPBGUARNHOLBY-SFHVURJKSA-N
MW314.38 g/mol
LogP4.07
Rot. Bonds4

About (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran

(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran (PubChem CID 164668460) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran.

Molecular Properties

Compound Name(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
PubChem CID164668460
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran
SMILESCOc1ccc([C@@H]2OC(C)(C)c3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C19H22O4/c1-19(2)15-11-17(22-5)16(21-4)10-14(15)18(23-19)12-6-8-13(20-3)9-7-12/h6-11,18H,1-5H3/t18-/m0/s1
InChIKeyBNPBGUARNHOLBY-SFHVURJKSA-N
XLogP4.07
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran
CID 166439561
(4S,5S)-4-(4-methoxyphenyl)-2,2-dimethyl-5-(3,4,5-trimethoxyphenyl)-1,3-dioxolane
CID 10809404
(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
CID 164668462
4-(4-methoxyphenyl)-2,2,5-trimethyl-1,3-dioxolane
CID 56986398
(3S,4R)-3-bromo-6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14561850
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
6-(4-methoxyphenyl)-6H-benzo[c]chromene
CID 86088499
(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
2-(1-chloro-2,2,3,3-tetramethylcyclopropyl)-1,4-dimethoxybenzene
CID 15162635
6,7-dimethoxy-1-(4-methoxyphenyl)-2,4-dihydro-1H-isoquinolin-3-one
CID 6456492
(4aR,10bS)-9-methoxy-2,6,6-trimethyl-3,4,4a,10b-tetrahydro-1H-isochromeno[4,3-c]pyridine
CID 22806491

Frequently Asked Questions

What is the IUPAC name of (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran?
The IUPAC name of (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran (CID 164668460) is (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran.
What is the SMILES notation for (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran?
The canonical SMILES for (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran is COc1ccc([C@@H]2OC(C)(C)c3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran?
The InChIKey is BNPBGUARNHOLBY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22O4/c1-19(2)15-11-17(22-5)16(21-4)10-14(15)18(23-19)12-6-8-13(20-3)9-7-12/h6-11,18H,1-5H3/t18-/m0/s1.
What are the key properties of (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran?
(1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran has a molecular weight of 314.38 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5,6-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-1H-2-benzofuran is sourced from PubChem (CID 164668460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).