2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol

C16H24O3 — CID 139705017

IUPAC2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol
SMILESCCCCCC1Cc2c(CCC)c(O)cc(O)c2O1
InChIInChI=1S/C16H24O3/c1-3-5-6-8-11-9-13-12(7-4-2)14(17)10-15(18)16(13)19-11/h10-11,17-18H,3-9H2,1-2H3
InChIKeyBQIZCIUPRBUPED-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.93
Rot. Bonds6

About 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol

2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol (PubChem CID 139705017) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol.

Molecular Properties

Compound Name2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol
PubChem CID139705017
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol
SMILESCCCCCC1Cc2c(CCC)c(O)cc(O)c2O1
InChIInChI=1S/C16H24O3/c1-3-5-6-8-11-9-13-12(7-4-2)14(17)10-15(18)16(13)19-11/h10-11,17-18H,3-9H2,1-2H3
InChIKeyBQIZCIUPRBUPED-UHFFFAOYSA-N
XLogP3.93
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-ditert-butyl-2-octyl-2,3-dihydro-1-benzofuran-5-ol
CID 23442857
(3R)-7-butyl-6,8-dihydroxy-3-pentyl-3,4-dihydroisochromen-1-one
CID 11012219
(3R)-5-butyl-6,8-dihydroxy-3-pent-3-enyl-3,4-dihydroisochromen-1-one
CID 163086072
4-dodecyloxetan-2-one
CID 90110174
2-hexyl-3,5-dihydro-2H-furo[3,2-c]quinolin-4-one
CID 101102984
(2R)-5,7-dimethoxy-2-pentyl-2,3-dihydro-1-benzofuran
CID 131847505
25,26,27,28-tetrapentylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 2724953
6,8-dihydroxy-3-(7-hydroxyheptyl)-5-methyl-3,4-dihydroisochromen-1-one
CID 162980233
6-butyl-2-hexyl-2,3-dihydropyran-4-one
CID 86057082
4,5-difluoro-2,7-dipropylfuro[3,2-e][1]benzofuran;4,5-difluoro-2,7-dipropyl-1,2,7,8-tetrahydrofuro[3,2-e][1]benzofuran
CID 162214734
6-bromo-8-chloro-2-pentyl-2,3-dihydrochromen-4-one
CID 118720021
(2R)-4-methyl-2-pentyl-2,3-dihydropyran-6-one
CID 129405234

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol?
The IUPAC name of 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol (CID 139705017) is 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol.
What is the SMILES notation for 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol?
The canonical SMILES for 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol is CCCCCC1Cc2c(CCC)c(O)cc(O)c2O1.
What is the InChIKey of 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol?
The InChIKey is BQIZCIUPRBUPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-5-6-8-11-9-13-12(7-4-2)14(17)10-15(18)16(13)19-11/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol?
2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol has a molecular weight of 264.36 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-4-propyl-2,3-dihydro-1-benzofuran-5,7-diol is sourced from PubChem (CID 139705017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).