4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran

C12H15ClO — CID 158971605

IUPAC4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)c1ccc(Cl)c2c1CCO2
InChIInChI=1S/C12H15ClO/c1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h4-5H,6-7H2,1-3H3
InChIKeyWFYUIPVHEITUDD-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.57
Rot. Bonds

About 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran

4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran (PubChem CID 158971605) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran
PubChem CID158971605
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran
SMILESCC(C)(C)c1ccc(Cl)c2c1CCO2
InChIInChI=1S/C12H15ClO/c1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h4-5H,6-7H2,1-3H3
InChIKeyWFYUIPVHEITUDD-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)propan-2-amine
CID 117327782
7-chloro-4-propyl-2,3-dihydro-1-benzofuran
CID 168905043
8-tert-butyl-5-methyl-2,3-dihydrochromen-4-one
CID 43154972
N-[3-(7-chloro-2,3-dihydro-1-benzofuran-4-yl)propyl]acetamide
CID 19611702
8-tert-butyl-7-chloro-3,4-dihydro-2H-1,4-benzoxazine
CID 165154481
4-tert-butyl-1,2,6,7-tetrahydrocyclopenta[e][1]benzofuran-8-one
CID 53312472
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
7-tert-butyl-8-chloro-3-[2-(7-chloro-2,3-dihydro-1-benzofuran-6-yl)-2-methylpropyl]-3,4-dihydro-2H-chromene
CID 166900623
2-(4-chloro-7-methoxy-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117356405
3-tert-butyl-2,6-dichlorophenol
CID 130033487
4-tert-butyl-7-methyl-2,3-dihydrofuro[3,2-c]pyridine
CID 91113567
4-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-2,3-dihydro-1-benzofuran;ethane
CID 158682254

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran (CID 158971605) is 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran is CC(C)(C)c1ccc(Cl)c2c1CCO2.
What is the InChIKey of 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran?
The InChIKey is WFYUIPVHEITUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-12(2,3)9-4-5-10(13)11-8(9)6-7-14-11/h4-5H,6-7H2,1-3H3.
What are the key properties of 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran?
4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran has a molecular weight of 210.70 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-chloro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 158971605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).