2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol

C13H18O2 — CID 79218532

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
SMILESCCC(CO)CC1COc2ccccc21
InChIInChI=1S/C13H18O2/c1-2-10(8-14)7-11-9-15-13-6-4-3-5-12(11)13/h3-6,10-11,14H,2,7-9H2,1H3
InChIKeyNCHWOWWYWNEXGZ-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.57
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol (PubChem CID 79218532) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
PubChem CID79218532
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol
SMILESCCC(CO)CC1COc2ccccc21
InChIInChI=1S/C13H18O2/c1-2-10(8-14)7-11-9-15-13-6-4-3-5-12(11)13/h3-6,10-11,14H,2,7-9H2,1H3
InChIKeyNCHWOWWYWNEXGZ-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-N-methylbutan-1-amine
CID 79229508
4-(2,3-dihydro-1-benzofuran-3-yl)-2-ethylbut-2-en-1-ol
CID 71329862
4-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanoic acid
CID 81008483
2-(2-chlorophenyl)-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-ol
CID 79449029
2-benzyl-3-(2,3-dihydro-1-benzofuran-3-yl)propan-1-amine
CID 79229827
3-(3-chloropentyl)-2,3-dihydro-1-benzofuran
CID 79229342
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-ethylbutan-1-ol
CID 79220406
3-[2-(chloromethyl)-3-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79220400
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)-3-(2-methylphenyl)propan-1-amine
CID 79219891
3-(2,3-dihydro-1-benzofuran-3-yl)-2-(3-fluorophenyl)propan-1-ol
CID 79433208
3-(2,3-dihydro-1-benzofuran-3-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 79229188
1-cyclopropyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-2-amine
CID 79226758

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol (CID 79218532) is 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol is CCC(CO)CC1COc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol?
The InChIKey is NCHWOWWYWNEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-10(8-14)7-11-9-15-13-6-4-3-5-12(11)13/h3-6,10-11,14H,2,7-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol?
2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol has a molecular weight of 206.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethyl)butan-1-ol is sourced from PubChem (CID 79218532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).