(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran

C17H18O2 — CID 122398318

IUPAC(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
SMILESCOc1ccc(C[C@]2(C)COc3ccccc32)cc1
InChIInChI=1S/C17H18O2/c1-17(11-13-7-9-14(18-2)10-8-13)12-19-16-6-4-3-5-15(16)17/h3-10H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyGBCDYJUPUIYGQZ-QGZVFWFLSA-N
MW254.33 g/mol
LogP3.59
Rot. Bonds3

About (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran

(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran (PubChem CID 122398318) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran.

Molecular Properties

Compound Name(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
PubChem CID122398318
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
SMILESCOc1ccc(C[C@]2(C)COc3ccccc32)cc1
InChIInChI=1S/C17H18O2/c1-17(11-13-7-9-14(18-2)10-8-13)12-19-16-6-4-3-5-15(16)17/h3-10H,11-12H2,1-2H3/t17-/m1/s1
InChIKeyGBCDYJUPUIYGQZ-QGZVFWFLSA-N
XLogP3.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran?
The IUPAC name of (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran (CID 122398318) is (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran.
What is the SMILES notation for (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran?
The canonical SMILES for (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran is COc1ccc(C[C@]2(C)COc3ccccc32)cc1.
What is the InChIKey of (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran?
The InChIKey is GBCDYJUPUIYGQZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18O2/c1-17(11-13-7-9-14(18-2)10-8-13)12-19-16-6-4-3-5-15(16)17/h3-10H,11-12H2,1-2H3/t17-/m1/s1.
What are the key properties of (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran?
(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran has a molecular weight of 254.33 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran is sourced from PubChem (CID 122398318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).