5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol

C16H24O2 — CID 83047572

IUPAC5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCCCC1Oc2ccc(C(C)(C)CC)cc2C1O
InChIInChI=1S/C16H24O2/c1-5-7-14-15(17)12-10-11(16(3,4)6-2)8-9-13(12)18-14/h8-10,14-15,17H,5-7H2,1-4H3
InChIKeyRPUNGQDTNNFTKV-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.97
Rot. Bonds4

About 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol

5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 83047572) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID83047572
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCCCC1Oc2ccc(C(C)(C)CC)cc2C1O
InChIInChI=1S/C16H24O2/c1-5-7-14-15(17)12-10-11(16(3,4)6-2)8-9-13(12)18-14/h8-10,14-15,17H,5-7H2,1-4H3
InChIKeyRPUNGQDTNNFTKV-UHFFFAOYSA-N
XLogP3.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Triton X 100
CID 5590
2-(4-(1,1-Dimethylethyl)phenoxy)cyclohexanol
CID 16033
2-(p-Nonylphenoxy)ethanol
CID 7700
Poly(oxy-1,2-ethanediyl), alpha-((1,1,3,3-tetramethylbutyl)phenyl)-omega-hydroxy-, potassium salt (1:1)
CID 24775
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
(6aS,11aS)-9-methoxy-10-(3-methyl-2-buten-1-yl)-6H-benzofuro(3,2-c)(1)benzopyran-3,6a(11aH)-diol
CID 126540
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525
20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
CID 75622
Butanoic acid, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-
CID 625983
Triton X-100.11
CID 454542
Octoxynol-3
CID 448876

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol (CID 83047572) is 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol is CCCC1Oc2ccc(C(C)(C)CC)cc2C1O.
What is the InChIKey of 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is RPUNGQDTNNFTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-5-7-14-15(17)12-10-11(16(3,4)6-2)8-9-13(12)18-14/h8-10,14-15,17H,5-7H2,1-4H3.
What are the key properties of 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 248.37 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 83047572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).