(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]

C19H20O3 — CID 164668462

IUPAC(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
SMILESCOc1ccc([C@@H]2OC3(CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C19H20O3/c1-20-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(22-18)10-12-21-13-11-19/h2-9,18H,10-13H2,1H3/t18-/m0/s1
InChIKeyMTOAYSNQAUNNMP-SFHVURJKSA-N
MW296.37 g/mol
LogP3.82
Rot. Bonds2

About (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]

(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane] (PubChem CID 164668462) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane].

Molecular Properties

Compound Name(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
PubChem CID164668462
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]
SMILESCOc1ccc([C@@H]2OC3(CCOCC3)c3ccccc32)cc1
InChIInChI=1S/C19H20O3/c1-20-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(22-18)10-12-21-13-11-19/h2-9,18H,10-13H2,1H3/t18-/m0/s1
InChIKeyMTOAYSNQAUNNMP-SFHVURJKSA-N
XLogP3.82
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]?
The IUPAC name of (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane] (CID 164668462) is (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane].
What is the SMILES notation for (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]?
The canonical SMILES for (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane] is COc1ccc([C@@H]2OC3(CCOCC3)c3ccccc32)cc1.
What is the InChIKey of (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]?
The InChIKey is MTOAYSNQAUNNMP-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20O3/c1-20-15-8-6-14(7-9-15)18-16-4-2-3-5-17(16)19(22-18)10-12-21-13-11-19/h2-9,18H,10-13H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane]?
(1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane] has a molecular weight of 296.37 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-methoxyphenyl)spiro[1H-2-benzofuran-3,4'-oxane] is sourced from PubChem (CID 164668462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).