4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol

C12H18O2 — CID 115466987

IUPAC4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCCC(C)C1(O)CCCc2occc21
InChIInChI=1S/C12H18O2/c1-3-9(2)12(13)7-4-5-11-10(12)6-8-14-11/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyUPQMIEKTERQAOE-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.85
Rot. Bonds2

About 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol

4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol (PubChem CID 115466987) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol.

Molecular Properties

Compound Name4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol
PubChem CID115466987
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol
SMILESCCC(C)C1(O)CCCc2occc21
InChIInChI=1S/C12H18O2/c1-3-9(2)12(13)7-4-5-11-10(12)6-8-14-11/h6,8-9,13H,3-5,7H2,1-2H3
InChIKeyUPQMIEKTERQAOE-UHFFFAOYSA-N
XLogP2.85
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-ethylsulfonylpropyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 113315337
N-[[(4S)-4-hydroxy-6,7-dihydro-5H-1-benzofuran-4-yl]methyl]-2-methylpropane-1-sulfonamide
CID 164637057
4-(cyclohexylmethyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466959
4-(4-methoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466952
4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 116809816
4-(2-methylpyrazol-3-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467071
4-(3,5-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467084
4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 69418838
4-thiophen-3-yl-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467108
1'-methylspiro[6,7-dihydro-5H-1-benzofuran-4,2'-pyrrolidine]-3'-one
CID 83832861
4-[(2-propyl-1,2,4-triazol-3-yl)methyl]-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115466919
4-(2,3-difluorophenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 115467073

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
The IUPAC name of 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol (CID 115466987) is 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol.
What is the SMILES notation for 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
The canonical SMILES for 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol is CCC(C)C1(O)CCCc2occc21.
What is the InChIKey of 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
The InChIKey is UPQMIEKTERQAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-9(2)12(13)7-4-5-11-10(12)6-8-14-11/h6,8-9,13H,3-5,7H2,1-2H3.
What are the key properties of 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol?
4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol has a molecular weight of 194.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6,7-dihydro-5H-1-benzofuran-4-ol is sourced from PubChem (CID 115466987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).