4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol

C17H24O3 — CID 103560129

IUPAC4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
SMILESCOC1(CC(O)CCc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C17H24O3/c1-19-17(8-2-9-17)12-15(18)5-3-13-4-6-16-14(11-13)7-10-20-16/h4,6,11,15,18H,2-3,5,7-10,12H2,1H3
InChIKeyFQVRWZIOMCGQPB-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.87
Rot. Bonds6

About 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol

4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol (PubChem CID 103560129) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
PubChem CID103560129
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol
SMILESCOC1(CC(O)CCc2ccc3c(c2)CCO3)CCC1
InChIInChI=1S/C17H24O3/c1-19-17(8-2-9-17)12-15(18)5-3-13-4-6-16-14(11-13)7-10-20-16/h4,6,11,15,18H,2-3,5,7-10,12H2,1H3
InChIKeyFQVRWZIOMCGQPB-UHFFFAOYSA-N
XLogP2.87
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)propan-1-amine
CID 116713989
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-ethylcyclopentyl)propan-1-ol
CID 115802827
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
6-[1-bromo-2-(1-methoxycyclobutyl)ethyl]-3,4-dihydro-2H-chromene
CID 103557780
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
CID 65445470
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol (CID 103560129) is 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol is COC1(CC(O)CCc2ccc3c(c2)CCO3)CCC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol?
The InChIKey is FQVRWZIOMCGQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-19-17(8-2-9-17)12-15(18)5-3-13-4-6-16-14(11-13)7-10-20-16/h4,6,11,15,18H,2-3,5,7-10,12H2,1H3.
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol?
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-methoxycyclobutyl)butan-2-ol is sourced from PubChem (CID 103560129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).