4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol

C12H16O2 — CID 14484953

IUPAC4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(c(C)c1O)CCO2
InChIInChI=1S/C12H16O2/c1-3-4-9-7-11-10(5-6-14-11)8(2)12(9)13/h7,13H,3-6H2,1-2H3
InChIKeyLYXLQVDKSDMXRN-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.59
Rot. Bonds2

About 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol

4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484953) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484953
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1cc2c(c(C)c1O)CCO2
InChIInChI=1S/C12H16O2/c1-3-4-9-7-11-10(5-6-14-11)8(2)12(9)13/h7,13H,3-6H2,1-2H3
InChIKeyLYXLQVDKSDMXRN-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 14986
(+)-gamma-Tocopherol
CID 92729
Gamma-Tocotrienol
CID 5282349
Beta-Tocopherol
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beta-Tocotrienol
CID 5282348
2,6-Di-tert-butyl-4-methoxyphenol
CID 10269
Hthq
CID 119193
2,5,8-Trimethyl-2-(4,8,12-trimethyltridecyl)-6-chromanol
CID 86052
7-Methyl-5-(1-methylethyl)-2H-naphtho(1,8-bc)furan-3,4-diol
CID 119497
epsilon-Tokoferol
CID 9844470
Conocarpan
CID 10999992
4,6-Bis(1,1-dimethylethyl)-2,3-dihydro-2,2-dipentyl-5-benzofuranol
CID 9800472

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 14484953) is 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1cc2c(c(C)c1O)CCO2.
What is the InChIKey of 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is LYXLQVDKSDMXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-9-7-11-10(5-6-14-11)8(2)12(9)13/h7,13H,3-6H2,1-2H3.
What are the key properties of 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 192.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).