6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol

C28H32O3 — CID 15161058

IUPAC6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1c(O)c(CCCOc2ccccc2)cc2c1CC(CCc1ccccc1)O2
InChIInChI=1S/C28H32O3/c1-2-10-25-26-20-24(17-16-21-11-5-3-6-12-21)31-27(26)19-22(28(25)29)13-9-18-30-23-14-7-4-8-15-23/h3-8,11-12,14-15,19,24,29H,2,9-10,13,16-18,20H2,1H3
InChIKeyQKEWWNWANRHBTQ-UHFFFAOYSA-N
MW416.56 g/mol
LogP6.29
Rot. Bonds10

About 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol

6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol (PubChem CID 15161058) has the molecular formula C28H32O3 and a molecular weight of 416.56 g/mol. Its IUPAC name is 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol.

Molecular Properties

Compound Name6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol
PubChem CID15161058
Molecular FormulaC28H32O3
Molecular Weight416.56 g/mol
Exact Mass416.24
IUPAC Name6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol
SMILESCCCc1c(O)c(CCCOc2ccccc2)cc2c1CC(CCc1ccccc1)O2
InChIInChI=1S/C28H32O3/c1-2-10-25-26-20-24(17-16-21-11-5-3-6-12-21)31-27(26)19-22(28(25)29)13-9-18-30-23-14-7-4-8-15-23/h3-8,11-12,14-15,19,24,29H,2,9-10,13,16-18,20H2,1H3
InChIKeyQKEWWNWANRHBTQ-UHFFFAOYSA-N
XLogP6.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 56.29
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-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
The IUPAC name of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol (CID 15161058) is 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol.
What is the SMILES notation for 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
The canonical SMILES for 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol is CCCc1c(O)c(CCCOc2ccccc2)cc2c1CC(CCc1ccccc1)O2.
What is the InChIKey of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
The InChIKey is QKEWWNWANRHBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O3/c1-2-10-25-26-20-24(17-16-21-11-5-3-6-12-21)31-27(26)19-22(28(25)29)13-9-18-30-23-14-7-4-8-15-23/h3-8,11-12,14-15,19,24,29H,2,9-10,13,16-18,20H2,1H3.
What are the key properties of 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol?
6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol has a molecular weight of 416.56 g/mol, XLogP of 6.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropyl)-2-(2-phenylethyl)-4-propyl-2,3-dihydro-1-benzofuran-5-ol is sourced from PubChem (CID 15161058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).