6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol

C20H24O3 — CID 14484912

IUPAC6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1ccc(OCCCc2cc3c(cc2O)CCO3)cc1
InChIInChI=1S/C20H24O3/c1-2-4-15-6-8-18(9-7-15)22-11-3-5-16-14-20-17(10-12-23-20)13-19(16)21/h6-9,13-14,21H,2-5,10-12H2,1H3
InChIKeyGNZKJPGRBASKAK-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.29
Rot. Bonds7

About 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol

6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 14484912) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
PubChem CID14484912
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1ccc(OCCCc2cc3c(cc2O)CCO3)cc1
InChIInChI=1S/C20H24O3/c1-2-4-15-6-8-18(9-7-15)22-11-3-5-16-14-20-17(10-12-23-20)13-19(16)21/h6-9,13-14,21H,2-5,10-12H2,1H3
InChIKeyGNZKJPGRBASKAK-UHFFFAOYSA-N
XLogP4.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.29
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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Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol (CID 14484912) is 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol is CCCc1ccc(OCCCc2cc3c(cc2O)CCO3)cc1.
What is the InChIKey of 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is GNZKJPGRBASKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-2-4-15-6-8-18(9-7-15)22-11-3-5-16-14-20-17(10-12-23-20)13-19(16)21/h6-9,13-14,21H,2-5,10-12H2,1H3.
What are the key properties of 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol?
6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 312.41 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-propylphenoxy)propyl]-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 14484912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).