5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran

C10H11ClO — CID 134952013

IUPAC5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(cc1Cl)C(C)CO2
InChIInChI=1S/C10H11ClO/c1-6-3-10-8(4-9(6)11)7(2)5-12-10/h3-4,7H,5H2,1-2H3
InChIKeyRAGAMAZGZMELKI-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.14
Rot. Bonds

About 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran

5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 134952013) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID134952013
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCc1cc2c(cc1Cl)C(C)CO2
InChIInChI=1S/C10H11ClO/c1-6-3-10-8(4-9(6)11)7(2)5-12-10/h3-4,7H,5H2,1-2H3
InChIKeyRAGAMAZGZMELKI-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Chloro-6-cyclohexyl-2,3-dihydrobenzofuran-2-one
CID 68806
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
3,6-Dimethyl-2,3-dihydro-1-benzofuran
CID 58047283
5-chloro-3-methyl-6-phenyl-3H-1-benzofuran-2-one
CID 44282972
5-chloro-6-cyclohexyl-3-methyl-3H-1-benzofuran-2-one
CID 44283221
Halogenated Helianane
CID 5324496
2-(4-Chloro-2-isopropyl-5-methylphenoxy)ethanamine
CID 5296008
Phenetole, 4-chloro-beta-(N,N-dimethylamino)-2-isopropyl-5-methyl-, hydrochloride
CID 204739
Benzene, 1,1'-oxybis-, monochloro bis(2-methylpropyl) deriv.
CID 172552
4-Chloro-2-isopropyl-5-methylanisole
CID 3592868
5-Chloro-2-methyl-2,3-dihydro-1-benzofuran
CID 597779
5-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran
CID 19845302

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran (CID 134952013) is 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran is Cc1cc2c(cc1Cl)C(C)CO2.
What is the InChIKey of 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is RAGAMAZGZMELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-6-3-10-8(4-9(6)11)7(2)5-12-10/h3-4,7H,5H2,1-2H3.
What are the key properties of 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran?
5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 182.65 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 134952013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).