1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol

C14H16O3 — CID 114727316

IUPAC1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)c2cc3ccccc3o2)CCC1
InChIInChI=1S/C14H16O3/c1-16-14(7-4-8-14)13(15)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,9,13,15H,4,7-8H2,1H3
InChIKeyHTDLCNHIENTAHZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.04
Rot. Bonds3

About 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol

1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol (PubChem CID 114727316) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol.

Molecular Properties

Compound Name1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
PubChem CID114727316
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol
SMILESCOC1(C(O)c2cc3ccccc3o2)CCC1
InChIInChI=1S/C14H16O3/c1-16-14(7-4-8-14)13(15)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,9,13,15H,4,7-8H2,1H3
InChIKeyHTDLCNHIENTAHZ-UHFFFAOYSA-N
XLogP3.04
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(1-ethoxy-4-methylcyclohexyl)methanol
CID 114727447
N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
CID 114731424
1-(1-benzofuran-2-yl)-1-(4-methoxyoxan-4-yl)-N-methylmethanamine
CID 114731441
1-[1-benzofuran-2-yl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79136365
1-(1-benzofuran-2-yl)-2-methoxypropan-1-ol
CID 114726943
(1-methoxycyclohexyl)-phenylmethanol
CID 116753267
2-(1-aminocyclobutyl)-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylacetamide
CID 79844029
[3-(aminomethyl)oxolan-3-yl]-(1-benzofuran-2-yl)methanol
CID 79138546
(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
CID 154795462
(1-methoxycycloheptyl)-quinolin-3-ylmethanol
CID 116755913
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol?
The IUPAC name of 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol (CID 114727316) is 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol.
What is the SMILES notation for 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol?
The canonical SMILES for 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol is COC1(C(O)c2cc3ccccc3o2)CCC1.
What is the InChIKey of 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol?
The InChIKey is HTDLCNHIENTAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-16-14(7-4-8-14)13(15)12-9-10-5-2-3-6-11(10)17-12/h2-3,5-6,9,13,15H,4,7-8H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol?
1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol has a molecular weight of 232.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(1-methoxycyclobutyl)methanol is sourced from PubChem (CID 114727316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).