6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene

C29H24O4 — CID 88644464

IUPAC6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene
SMILESCCC(OC1=c2ccccc2=C2C=CC=CC2O1)OC1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C29H24O4/c1-2-27(32-28-23-15-5-3-11-19(23)21-13-7-9-17-25(21)30-28)33-29-24-16-6-4-12-20(24)22-14-8-10-18-26(22)31-29/h3-18,25-27H,2H2,1H3
InChIKeyNFTZGTUOIBZLDS-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.64
Rot. Bonds5

About 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene

6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene (PubChem CID 88644464) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene.

Molecular Properties

Compound Name6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene
PubChem CID88644464
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene
SMILESCCC(OC1=c2ccccc2=C2C=CC=CC2O1)OC1=c2ccccc2=C2C=CC=CC2O1
InChIInChI=1S/C29H24O4/c1-2-27(32-28-23-15-5-3-11-19(23)21-13-7-9-17-25(21)30-28)33-29-24-16-6-4-12-20(24)22-14-8-10-18-26(22)31-29/h3-18,25-27H,2H2,1H3
InChIKeyNFTZGTUOIBZLDS-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 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene?
The IUPAC name of 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene (CID 88644464) is 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene.
What is the SMILES notation for 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene?
The canonical SMILES for 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene is CCC(OC1=c2ccccc2=C2C=CC=CC2O1)OC1=c2ccccc2=C2C=CC=CC2O1.
What is the InChIKey of 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene?
The InChIKey is NFTZGTUOIBZLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4/c1-2-27(32-28-23-15-5-3-11-19(23)21-13-7-9-17-25(21)30-28)33-29-24-16-6-4-12-20(24)22-14-8-10-18-26(22)31-29/h3-18,25-27H,2H2,1H3.
What are the key properties of 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene?
6-[1-(4aH-benzo[c]chromen-6-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 6-[1-(4aH-benzo[c]chromen-6-yloxy)propoxy]-4aH-benzo[c]chromene is sourced from PubChem (CID 88644464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).