5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran

C16H21ClO — CID 66477542

IUPAC5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCC1(C)C(C(Cl)c2ccc3c(c2)COC3)C1(C)C
InChIInChI=1S/C16H21ClO/c1-15(2)14(16(15,3)4)13(17)10-5-6-11-8-18-9-12(11)7-10/h5-7,13-14H,8-9H2,1-4H3
InChIKeyYUPRSQWWUZOONR-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.68
Rot. Bonds2

About 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran

5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran (PubChem CID 66477542) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran
PubChem CID66477542
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran
SMILESCC1(C)C(C(Cl)c2ccc3c(c2)COC3)C1(C)C
InChIInChI=1S/C16H21ClO/c1-15(2)14(16(15,3)4)13(17)10-5-6-11-8-18-9-12(11)7-10/h5-7,13-14H,8-9H2,1-4H3
InChIKeyYUPRSQWWUZOONR-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1,3-dihydro-2-benzofuran
CID 63742340
1,3-dihydro-2-benzofuran-5-yl-(2,2-dimethylcyclopropyl)methanol
CID 107002520
(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
5-[chloro-(3-chlorophenyl)methyl]-1,3-dihydro-2-benzofuran
CID 63021653
1-(1,3-dihydro-2-benzofuran-5-yl)-2,2-dimethylpropan-1-amine
CID 63019877
1-(1,3-dihydro-2-benzofuran-5-yl)-N,2-dimethylpropan-1-amine
CID 63018997
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
5-[chloro(furan-2-yl)methyl]-1,3-dihydro-2-benzofuran
CID 63019208
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydro-2-benzofuran
CID 63019930
5-(1-chloro-3,5,5-trimethylhexyl)-1,3-dihydro-2-benzofuran
CID 55198813
1-adamantyl(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63019202

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran (CID 66477542) is 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran is CC1(C)C(C(Cl)c2ccc3c(c2)COC3)C1(C)C.
What is the InChIKey of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran?
The InChIKey is YUPRSQWWUZOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-15(2)14(16(15,3)4)13(17)10-5-6-11-8-18-9-12(11)7-10/h5-7,13-14H,8-9H2,1-4H3.
What are the key properties of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran?
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran has a molecular weight of 264.80 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 66477542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).