2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol

C16H24O3 — CID 139705011

IUPAC2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCCCOC1Cc2cc(O)c(CCC)cc2O1
InChIInChI=1S/C16H24O3/c1-3-5-6-8-18-16-11-13-9-14(17)12(7-4-2)10-15(13)19-16/h9-10,16-17H,3-8,11H2,1-2H3
InChIKeyKLLQUEIHMWAQIF-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.81
Rot. Bonds7

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

2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 139705011) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID139705011
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCCCOC1Cc2cc(O)c(CCC)cc2O1
InChIInChI=1S/C16H24O3/c1-3-5-6-8-18-16-11-13-9-14(17)12(7-4-2)10-15(13)19-16/h9-10,16-17H,3-8,11H2,1-2H3
InChIKeyKLLQUEIHMWAQIF-UHFFFAOYSA-N
XLogP3.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-nonoxyoxetan-2-one
CID 175477617
4,6-dipropylbenzene-1,3-diol
CID 70496109
2-butoxy-2,3-dihydrobenzo[g][1]benzofuran
CID 71816977
(2R)-2-butoxy-6-methyl-2,3-dihydropyran-4-one
CID 14667618
2-(5-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetaldehyde
CID 83877987
3-(pentoxymethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 69282262
4-(6-hydroxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)butanoic acid
CID 83897017
6-pentoxyoxan-2-one
CID 70139952
(5aS,7S,9aS)-7-butyl-3-propyl-6,8,9,9a-tetrahydro-5aH-dibenzofuran-2,7-diol
CID 15137050
(5aS,7R,9aR)-7-butyl-3-propyl-6,8,9,9a-tetrahydro-5aH-dibenzofuran-2,7-diol
CID 57006962
2-(hydroxymethyl)-6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 139704996
4-(2-methylheptan-2-ylsulfanyl)-2-propylphenol
CID 173100970

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 139705011) is 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCCCOC1Cc2cc(O)c(CCC)cc2O1.
What is the InChIKey of 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is KLLQUEIHMWAQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-6-8-18-16-11-13-9-14(17)12(7-4-2)10-15(13)19-16/h9-10,16-17H,3-8,11H2,1-2H3.
What are the key properties of 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol?
2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 264.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-6-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 139705011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).