2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol

C12H16O2 — CID 117283160

IUPAC2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
SMILESCc1ccc2c(c1C(C)CO)CCO2
InChIInChI=1S/C12H16O2/c1-8-3-4-11-10(5-6-14-11)12(8)9(2)7-13/h3-4,9,13H,5-7H2,1-2H3
InChIKeyMSNGBZZIFUXQCM-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.03
Rot. Bonds2

About 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol

2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol (PubChem CID 117283160) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
PubChem CID117283160
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol
SMILESCc1ccc2c(c1C(C)CO)CCO2
InChIInChI=1S/C12H16O2/c1-8-3-4-11-10(5-6-14-11)12(8)9(2)7-13/h3-4,9,13H,5-7H2,1-2H3
InChIKeyMSNGBZZIFUXQCM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
2-(6-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-ol
CID 117297524
4-chloro-5-methyl-2,3-dihydro-1-benzofuran
CID 89474128
4-tert-butyl-5-methyl-2,3-dihydro-1-benzofuran
CID 159534872
6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117321993
1-[1-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]ethanamine
CID 117309972
2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-ol
CID 117297535
2-(6-chloro-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117329564
6,7-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;methane
CID 143804420
(E)-3-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)prop-2-en-1-amine
CID 117281496
2-(5-chloro-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)propan-1-ol
CID 117454568
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol (CID 117283160) is 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol is Cc1ccc2c(c1C(C)CO)CCO2.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol?
The InChIKey is MSNGBZZIFUXQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-3-4-11-10(5-6-14-11)12(8)9(2)7-13/h3-4,9,13H,5-7H2,1-2H3.
What are the key properties of 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol?
2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol has a molecular weight of 192.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1-benzofuran-4-yl)propan-1-ol is sourced from PubChem (CID 117283160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).