6-chloro-2,2-dimethyl-3H-1-benzofuran

C10H11ClO — CID 13333889

IUPAC6-chloro-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2ccc(Cl)cc2O1
InChIInChI=1S/C10H11ClO/c1-10(2)6-7-3-4-8(11)5-9(7)12-10/h3-5H,6H2,1-2H3
InChIKeySWTJGRNSQWJYMD-UHFFFAOYSA-N
MW182.65 g/mol
LogP3.05
Rot. Bonds

About 6-chloro-2,2-dimethyl-3H-1-benzofuran

6-chloro-2,2-dimethyl-3H-1-benzofuran (PubChem CID 13333889) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 6-chloro-2,2-dimethyl-3H-1-benzofuran.

Molecular Properties

Compound Name6-chloro-2,2-dimethyl-3H-1-benzofuran
PubChem CID13333889
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name6-chloro-2,2-dimethyl-3H-1-benzofuran
SMILESCC1(C)Cc2ccc(Cl)cc2O1
InChIInChI=1S/C10H11ClO/c1-10(2)6-7-3-4-8(11)5-9(7)12-10/h3-5H,6H2,1-2H3
InChIKeySWTJGRNSQWJYMD-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-dimethyl-3H-1-benzofuran-6-yl)methanamine
CID 82599528
6-chloro-2,2-dimethyl-3,4-dihydrochromene
CID 11769444
1-(2,2-dimethyl-3H-1-benzofuran-6-yl)propan-2-amine
CID 117294068
[4-(2,2-dimethyl-3H-1-benzofuran-6-yl)phenyl]methanamine
CID 151427934
7-chloro-2,2-dimethyl-3,5-dihydro-1,5-benzoxazepin-4-one
CID 104523490
5-chloro-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-2-fluoroaniline
CID 63423470
lithium (2,2-dimethyl-3H-1-benzofuran-6-yl) sulfate
CID 156503969
7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
CID 84621622
7-chloro-5-fluoro-2,2-dimethyl-3H-chromen-4-one
CID 59442987
1-(6-chlorospiro[3H-1-benzofuran-2,2'-cyclohexane]-1'-yl)-N,N-dimethylmethanamine
CID 13233470
5-chloro-2,2-dimethyl-3H-furo[3,2-g]quinoline
CID 125472909
3-(2,2-dimethyl-3H-1-benzofuran-6-yl)propanoic acid
CID 82392727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2-dimethyl-3H-1-benzofuran?
The IUPAC name of 6-chloro-2,2-dimethyl-3H-1-benzofuran (CID 13333889) is 6-chloro-2,2-dimethyl-3H-1-benzofuran.
What is the SMILES notation for 6-chloro-2,2-dimethyl-3H-1-benzofuran?
The canonical SMILES for 6-chloro-2,2-dimethyl-3H-1-benzofuran is CC1(C)Cc2ccc(Cl)cc2O1.
What is the InChIKey of 6-chloro-2,2-dimethyl-3H-1-benzofuran?
The InChIKey is SWTJGRNSQWJYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO/c1-10(2)6-7-3-4-8(11)5-9(7)12-10/h3-5H,6H2,1-2H3.
What are the key properties of 6-chloro-2,2-dimethyl-3H-1-benzofuran?
6-chloro-2,2-dimethyl-3H-1-benzofuran has a molecular weight of 182.65 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2-dimethyl-3H-1-benzofuran is sourced from PubChem (CID 13333889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).