1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol

C24H24O2 — CID 139881330

IUPAC1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol
SMILESC=CC(Oc1ccc(C(O)(CC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H24O2/c1-3-23(19-11-7-5-8-12-19)26-22-17-15-21(16-18-22)24(25,4-2)20-13-9-6-10-14-20/h3,5-18,23,25H,1,4H2,2H3
InChIKeyQBJJQTIQKLSANW-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.64
Rot. Bonds7

About 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol

1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol (PubChem CID 139881330) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol
PubChem CID139881330
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol
SMILESC=CC(Oc1ccc(C(O)(CC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C24H24O2/c1-3-23(19-11-7-5-8-12-19)26-22-17-15-21(16-18-22)24(25,4-2)20-13-9-6-10-14-20/h3,5-18,23,25H,1,4H2,2H3
InChIKeyQBJJQTIQKLSANW-UHFFFAOYSA-N
XLogP5.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol?
The IUPAC name of 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol (CID 139881330) is 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol.
What is the SMILES notation for 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol?
The canonical SMILES for 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol is C=CC(Oc1ccc(C(O)(CC)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol?
The InChIKey is QBJJQTIQKLSANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-3-23(19-11-7-5-8-12-19)26-22-17-15-21(16-18-22)24(25,4-2)20-13-9-6-10-14-20/h3,5-18,23,25H,1,4H2,2H3.
What are the key properties of 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol?
1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol has a molecular weight of 344.45 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-[4-(1-phenylprop-2-enoxy)phenyl]propan-1-ol is sourced from PubChem (CID 139881330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).