(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran

C19H20O3 — CID 102193382

IUPAC(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
SMILESCOc1cccc([C@H]2OCC[C@@H]2[C@@H]2OCc3ccccc32)c1
InChIInChI=1S/C19H20O3/c1-20-15-7-4-6-13(11-15)18-17(9-10-21-18)19-16-8-3-2-5-14(16)12-22-19/h2-8,11,17-19H,9-10,12H2,1H3/t17-,18+,19+/m0/s1
InChIKeyRYCJZYQXEQNORA-IPMKNSEASA-N
MW296.37 g/mol
LogP4.04
Rot. Bonds3

About (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran

(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran (PubChem CID 102193382) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
PubChem CID102193382
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
SMILESCOc1cccc([C@H]2OCC[C@@H]2[C@@H]2OCc3ccccc32)c1
InChIInChI=1S/C19H20O3/c1-20-15-7-4-6-13(11-15)18-17(9-10-21-18)19-16-8-3-2-5-14(16)12-22-19/h2-8,11,17-19H,9-10,12H2,1H3/t17-,18+,19+/m0/s1
InChIKeyRYCJZYQXEQNORA-IPMKNSEASA-N
XLogP4.04
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran with MolForge

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Related Compounds

(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
CID 102193389
(3aR,4S,9bR)-8-methoxy-4-phenyl-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 99134947
2-(3-methoxyphenyl)-1,3-dioxolane
CID 11062994
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
CID 57342578
(1S,2R)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10587055
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
(3aR,4R,9bR)-4-(4-methoxyphenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 101231058
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
(4S)-9-methoxy-4-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 101137503
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
4-(3-methoxyphenyl)-3,3-dimethyl-2,4-dihydro-1H-isoquinoline
CID 12640128

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
The IUPAC name of (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran (CID 102193382) is (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran is COc1cccc([C@H]2OCC[C@@H]2[C@@H]2OCc3ccccc32)c1.
What is the InChIKey of (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
The InChIKey is RYCJZYQXEQNORA-IPMKNSEASA-N. The full InChI is InChI=1S/C19H20O3/c1-20-15-7-4-6-13(11-15)18-17(9-10-21-18)19-16-8-3-2-5-14(16)12-22-19/h2-8,11,17-19H,9-10,12H2,1H3/t17-,18+,19+/m0/s1.
What are the key properties of (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran has a molecular weight of 296.37 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 102193382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).