[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol

C14H18O2 — CID 116929640

IUPAC[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
SMILESOCC1(Cc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C14H18O2/c15-10-14(5-1-6-14)9-11-2-3-13-12(8-11)4-7-16-13/h2-3,8,15H,1,4-7,9-10H2
InChIKeyJOCRESHEHIZXIA-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.33
Rot. Bonds3

About [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol

[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol (PubChem CID 116929640) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
PubChem CID116929640
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol
SMILESOCC1(Cc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C14H18O2/c15-10-14(5-1-6-14)9-11-2-3-13-12(8-11)4-7-16-13/h2-3,8,15H,1,4-7,9-10H2
InChIKeyJOCRESHEHIZXIA-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropyl]methanol
CID 116928892
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanamine
CID 116929348
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropyl]methanamine
CID 116929020
[1-[(2,3-dihydro-1-benzofuran-5-ylamino)methyl]cyclohexyl]methanol
CID 81412695
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]methanol
CID 105426415
1-(3,4-dihydro-2H-chromen-6-ylmethyl)cyclopropan-1-amine
CID 117291912
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopentyl]methanol
CID 65445774
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
[1-(2,3-dihydro-1-benzofuran-5-yl)cyclobutyl]methanamine
CID 82608645
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79426418
[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]methanol
CID 115229208
5-(chloromethyl)-2,3-dihydro-1-benzofuran
CID 11789614

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol (CID 116929640) is [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol is OCC1(Cc2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol?
The InChIKey is JOCRESHEHIZXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-10-14(5-1-6-14)9-11-2-3-13-12(8-11)4-7-16-13/h2-3,8,15H,1,4-7,9-10H2.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol?
[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol has a molecular weight of 218.30 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclobutyl]methanol is sourced from PubChem (CID 116929640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).