1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene

C29H24O4 — CID 88644461

IUPAC1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene
SMILESCCC(OC1=CC=CC2OC=c3ccccc3=C12)OC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C29H24O4/c1-2-27(32-25-15-7-13-23-28(25)21-11-5-3-9-19(21)17-30-23)33-26-16-8-14-24-29(26)22-12-6-4-10-20(22)18-31-24/h3-18,23-24,27H,2H2,1H3
InChIKeyXUWSPWFQVNNXAT-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.64
Rot. Bonds5

About 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene

1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene (PubChem CID 88644461) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene.

Molecular Properties

Compound Name1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene
PubChem CID88644461
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene
SMILESCCC(OC1=CC=CC2OC=c3ccccc3=C12)OC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C29H24O4/c1-2-27(32-25-15-7-13-23-28(25)21-11-5-3-9-19(21)17-30-23)33-26-16-8-14-24-29(26)22-12-6-4-10-20(22)18-31-24/h3-18,23-24,27H,2H2,1H3
InChIKeyXUWSPWFQVNNXAT-UHFFFAOYSA-N
XLogP2.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene?
The IUPAC name of 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene (CID 88644461) is 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene.
What is the SMILES notation for 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene?
The canonical SMILES for 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene is CCC(OC1=CC=CC2OC=c3ccccc3=C12)OC1=CC=CC2OC=c3ccccc3=C12.
What is the InChIKey of 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene?
The InChIKey is XUWSPWFQVNNXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4/c1-2-27(32-25-15-7-13-23-28(25)21-11-5-3-9-19(21)17-30-23)33-26-16-8-14-24-29(26)22-12-6-4-10-20(22)18-31-24/h3-18,23-24,27H,2H2,1H3.
What are the key properties of 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene?
1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene has a molecular weight of 436.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4aH-benzo[c]chromen-1-yloxy)propoxy]-4aH-benzo[c]chromene is sourced from PubChem (CID 88644461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).