2-methyl-2,3-dihydro-1-benzofuran;hydrochloride

C9H11ClO — CID 140983033

IUPAC2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
SMILESCC1Cc2ccccc2O1.Cl
InChIInChI=1S/C9H10O.ClH/c1-7-6-8-4-2-3-5-9(8)10-7;/h2-5,7H,6H2,1H3;1H
InChIKeyPYDGADDDDMEDSZ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.43
Rot. Bonds

About 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride

2-methyl-2,3-dihydro-1-benzofuran;hydrochloride (PubChem CID 140983033) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
PubChem CID140983033
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-methyl-2,3-dihydro-1-benzofuran;hydrochloride
SMILESCC1Cc2ccccc2O1.Cl
InChIInChI=1S/C9H10O.ClH/c1-7-6-8-4-2-3-5-9(8)10-7;/h2-5,7H,6H2,1H3;1H
InChIKeyPYDGADDDDMEDSZ-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-methyl-2,3-dihydro-1-benzofuran
CID 7359194
ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 91201191
2,2-difluoro-1,3-benzodioxole;ethane;2-methyl-2,3-dihydro-1-benzofuran
CID 157211355
(2R,3S)-2,3-dimethyl-3,4-dihydro-2H-chromene;ethane
CID 90989077
azane;(2R)-2-methyl-3,4-dihydro-2H-chromene
CID 174522322
5-benzyl-2-methyl-2,3-dihydro-1-benzofuran
CID 173314899
(2-methyl-3,4-dihydro-2H-chromen-3-yl)methanol
CID 130824833
2-(2,3-dihydro-1-benzofuran-2-yloxy)-2,3-dihydro-1-benzofuran
CID 141494983
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
N-ethyl-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 70261253
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride (CID 140983033) is 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride is CC1Cc2ccccc2O1.Cl.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride?
The InChIKey is PYDGADDDDMEDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.ClH/c1-7-6-8-4-2-3-5-9(8)10-7;/h2-5,7H,6H2,1H3;1H.
What are the key properties of 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride?
2-methyl-2,3-dihydro-1-benzofuran;hydrochloride has a molecular weight of 170.64 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzofuran;hydrochloride is sourced from PubChem (CID 140983033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).