7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane

C12H17ClO — CID 143804356

IUPAC7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane
SMILESCC.Cc1ccc2c(c1Cl)OCC2C
InChIInChI=1S/C10H11ClO.C2H6/c1-6-3-4-8-7(2)5-12-10(8)9(6)11;1-2/h3-4,7H,5H2,1-2H3;1-2H3
InChIKeyJFRZEQFGTVZOGP-UHFFFAOYSA-N
MW212.72 g/mol
LogP4.17
Rot. Bonds

About 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane

7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane (PubChem CID 143804356) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane.

Molecular Properties

Compound Name7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane
PubChem CID143804356
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane
SMILESCC.Cc1ccc2c(c1Cl)OCC2C
InChIInChI=1S/C10H11ClO.C2H6/c1-6-3-4-8-7(2)5-12-10(8)9(6)11;1-2/h3-4,7H,5H2,1-2H3;1-2H3
InChIKeyJFRZEQFGTVZOGP-UHFFFAOYSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-6-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 150669089
4,8-dimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-10-amine;ethane
CID 142075796
7,8-dichloro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537588
5-chloro-4,6-dimethyl-3,4-dihydro-1H-isochromene
CID 134221136
(3S)-7-chloro-2,3-dihydro-1-benzofuran-3,6-diamine
CID 55293145
1-(7-chloro-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl)ethanone
CID 10774873
8-chloro-N,3,5-trimethyl-3,4-dihydro-2H-chromen-4-amine
CID 43537828
4,6,8,9-tetramethyl-2-oxabicyclo[3.3.1]nona-1(8),5(9),6-triene
CID 54335318
7-chloro-6-methyl-3H-1,2-benzodioxole
CID 173366380
3,5,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230329
N-[[(4R)-8-chloro-7-methyl-3,4-dihydro-1H-isochromen-4-yl]methyl]propan-1-amine
CID 163883679
(4S)-4,8-dimethyl-3,4-dihydro-1H-isochromene
CID 134221248

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane?
The IUPAC name of 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane (CID 143804356) is 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane.
What is the SMILES notation for 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane?
The canonical SMILES for 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane is CC.Cc1ccc2c(c1Cl)OCC2C.
What is the InChIKey of 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane?
The InChIKey is JFRZEQFGTVZOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.C2H6/c1-6-3-4-8-7(2)5-12-10(8)9(6)11;1-2/h3-4,7H,5H2,1-2H3;1-2H3.
What are the key properties of 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane?
7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane has a molecular weight of 212.72 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran;ethane is sourced from PubChem (CID 143804356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).