(2S)-2-benzyl-2-methyl-3H-1-benzofuran

C16H16O — CID 134955555

IUPAC(2S)-2-benzyl-2-methyl-3H-1-benzofuran
SMILESC[C@]1(Cc2ccccc2)Cc2ccccc2O1
InChIInChI=1S/C16H16O/c1-16(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)17-16/h2-10H,11-12H2,1H3/t16-/m0/s1
InChIKeyMSJWZSWCKKWOOT-INIZCTEOSA-N
MW224.30 g/mol
LogP3.62
Rot. Bonds2

About (2S)-2-benzyl-2-methyl-3H-1-benzofuran

(2S)-2-benzyl-2-methyl-3H-1-benzofuran (PubChem CID 134955555) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is (2S)-2-benzyl-2-methyl-3H-1-benzofuran.

Molecular Properties

Compound Name(2S)-2-benzyl-2-methyl-3H-1-benzofuran
PubChem CID134955555
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name(2S)-2-benzyl-2-methyl-3H-1-benzofuran
SMILESC[C@]1(Cc2ccccc2)Cc2ccccc2O1
InChIInChI=1S/C16H16O/c1-16(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)17-16/h2-10H,11-12H2,1H3/t16-/m0/s1
InChIKeyMSJWZSWCKKWOOT-INIZCTEOSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

spiro[3H-1-benzofuran-2,1'-cyclopropane]
CID 146627371
2-[(3-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-carboxylic acid
CID 175662582
3-benzyl-2,4-dihydrochromen-3-amine
CID 65422673
2-[[(2S)-2-benzyl-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-fluorophenyl)ethyl]amino]acetic acid
CID 129457481
2-benzyl-2,6,6-trimethylmorpholine
CID 65126692
2-[2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-yl]acetic acid
CID 110161305
2-[[2-[2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]acetyl]-(3-phenylpropyl)amino]acetic acid
CID 110077066
2-[[(2S)-2-benzyl-2-methyl-3H-1-benzofuran-5-carbonyl]-[2-(3-chlorophenyl)ethyl]amino]acetic acid
CID 124966212
3-[[2-[(4-ethylphenyl)methyl]-2-methyl-3H-1-benzofuran-5-carbonyl]-(3-phenylpropyl)amino]propanoic acid
CID 132768260
2-[3-[(2R)-2-[(4-chlorophenyl)methyl]-2-methyl-3H-1-benzofuran-5-yl]propanoyl-(3-phenylpropyl)amino]acetic acid
CID 124996827
2-(bromomethyl)-3H-1-benzofuran-2-carboxylic acid
CID 66688048
6-benzyl-3-[bis(methylsulfanyl)methylidene]-6-methyloxane-2,4-dione
CID 11404489

Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzyl-2-methyl-3H-1-benzofuran?
The IUPAC name of (2S)-2-benzyl-2-methyl-3H-1-benzofuran (CID 134955555) is (2S)-2-benzyl-2-methyl-3H-1-benzofuran.
What is the SMILES notation for (2S)-2-benzyl-2-methyl-3H-1-benzofuran?
The canonical SMILES for (2S)-2-benzyl-2-methyl-3H-1-benzofuran is C[C@]1(Cc2ccccc2)Cc2ccccc2O1.
What is the InChIKey of (2S)-2-benzyl-2-methyl-3H-1-benzofuran?
The InChIKey is MSJWZSWCKKWOOT-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16O/c1-16(11-13-7-3-2-4-8-13)12-14-9-5-6-10-15(14)17-16/h2-10H,11-12H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-2-benzyl-2-methyl-3H-1-benzofuran?
(2S)-2-benzyl-2-methyl-3H-1-benzofuran has a molecular weight of 224.30 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-2-methyl-3H-1-benzofuran is sourced from PubChem (CID 134955555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).