[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol

C14H18O2 — CID 22731291

IUPAC[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol
SMILESCC1(C)COc2ccc(C3CC3CO)cc21
InChIInChI=1S/C14H18O2/c1-14(2)8-16-13-4-3-9(6-12(13)14)11-5-10(11)7-15/h3-4,6,10-11,15H,5,7-8H2,1-2H3
InChIKeyNTSFGBRVMNLWBZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.45
Rot. Bonds2

About [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol

[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol (PubChem CID 22731291) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol
PubChem CID22731291
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol
SMILESCC1(C)COc2ccc(C3CC3CO)cc21
InChIInChI=1S/C14H18O2/c1-14(2)8-16-13-4-3-9(6-12(13)14)11-5-10(11)7-15/h3-4,6,10-11,15H,5,7-8H2,1-2H3
InChIKeyNTSFGBRVMNLWBZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol?
The IUPAC name of [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol (CID 22731291) is [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol.
What is the SMILES notation for [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol?
The canonical SMILES for [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol is CC1(C)COc2ccc(C3CC3CO)cc21.
What is the InChIKey of [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol?
The InChIKey is NTSFGBRVMNLWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)8-16-13-4-3-9(6-12(13)14)11-5-10(11)7-15/h3-4,6,10-11,15H,5,7-8H2,1-2H3.
What are the key properties of [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol?
[2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol has a molecular weight of 218.30 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-dimethyl-2H-1-benzofuran-5-yl)cyclopropyl]methanol is sourced from PubChem (CID 22731291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).