acetic acid;6-methyl-2,3-dihydro-1-benzofuran

C11H14O3 — CID 156753873

IUPACacetic acid;6-methyl-2,3-dihydro-1-benzofuran
SMILESCC(=O)O.Cc1ccc2c(c1)OCC2
InChIInChI=1S/C9H10O.C2H4O2/c1-7-2-3-8-4-5-10-9(8)6-7;1-2(3)4/h2-3,6H,4-5H2,1H3;1H3,(H,3,4)
InChIKeyNQOFCGLUCXKMRO-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.02
Rot. Bonds

About acetic acid;6-methyl-2,3-dihydro-1-benzofuran

acetic acid;6-methyl-2,3-dihydro-1-benzofuran (PubChem CID 156753873) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is acetic acid;6-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Nameacetic acid;6-methyl-2,3-dihydro-1-benzofuran
PubChem CID156753873
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Nameacetic acid;6-methyl-2,3-dihydro-1-benzofuran
SMILESCC(=O)O.Cc1ccc2c(c1)OCC2
InChIInChI=1S/C9H10O.C2H4O2/c1-7-2-3-8-4-5-10-9(8)6-7;1-2(3)4/h2-3,6H,4-5H2,1H3;1H3,(H,3,4)
InChIKeyNQOFCGLUCXKMRO-UHFFFAOYSA-N
XLogP2.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1,3-dihydro-2-benzofuran;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-2,3-dihydro-1-benzofuran
CID 143949912
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
(2E)-2-(7-methyl-2,3-dihydrochromen-4-ylidene)acetic acid
CID 163590905
methyl 2-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropanoate
CID 105475567
7-methyl-2,3-dihydrochromen-4-one;hydrochloride
CID 127263931
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
2-(2,3-dihydro-1-benzofuran-6-yl)-4-methylbenzonitrile
CID 96595651
2,3-dihydro-1-benzofuran-6-yl benzoate
CID 90777850
7-(4-methylphenyl)-3,4-dihydro-2H-chromene
CID 144987040
3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one
CID 130744389
6-nitroso-2,3-dihydro-1-benzofuran
CID 143738609

Frequently Asked Questions

What is the IUPAC name of acetic acid;6-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of acetic acid;6-methyl-2,3-dihydro-1-benzofuran (CID 156753873) is acetic acid;6-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for acetic acid;6-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for acetic acid;6-methyl-2,3-dihydro-1-benzofuran is CC(=O)O.Cc1ccc2c(c1)OCC2.
What is the InChIKey of acetic acid;6-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is NQOFCGLUCXKMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C2H4O2/c1-7-2-3-8-4-5-10-9(8)6-7;1-2(3)4/h2-3,6H,4-5H2,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;6-methyl-2,3-dihydro-1-benzofuran?
acetic acid;6-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 194.23 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;6-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 156753873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).