(3S)-3-methyl-2,3-dihydro-1-benzofuran

C9H10O — CID 15939192

IUPAC(3S)-3-methyl-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1COc2ccccc21
InChIInChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyYZDGROPVYQGZTK-SSDOTTSWSA-N
MW134.18 g/mol
LogP2.18
Rot. Bonds

About (3S)-3-methyl-2,3-dihydro-1-benzofuran

(3S)-3-methyl-2,3-dihydro-1-benzofuran (PubChem CID 15939192) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is (3S)-3-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(3S)-3-methyl-2,3-dihydro-1-benzofuran
PubChem CID15939192
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name(3S)-3-methyl-2,3-dihydro-1-benzofuran
SMILESC[C@@H]1COc2ccccc21
InChIInChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyYZDGROPVYQGZTK-SSDOTTSWSA-N
XLogP2.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (3S)-3-methyl-2,3-dihydro-1-benzofuran (CID 15939192) is (3S)-3-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (3S)-3-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (3S)-3-methyl-2,3-dihydro-1-benzofuran is C[C@@H]1COc2ccccc21.
What is the InChIKey of (3S)-3-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is YZDGROPVYQGZTK-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10O/c1-7-6-10-9-5-3-2-4-8(7)9/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of (3S)-3-methyl-2,3-dihydro-1-benzofuran?
(3S)-3-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 134.18 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 15939192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).