1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol

C29H24O5 — CID 88661402

IUPAC1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol
SMILESOC(COC1=CC=CC2OC=c3ccccc3=C12)COC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C29H24O5/c30-21(17-33-26-13-5-11-24-28(26)22-9-3-1-7-19(22)15-31-24)18-34-27-14-6-12-25-29(27)23-10-4-2-8-20(23)16-32-25/h1-16,21,24-25,30H,17-18H2
InChIKeyRNJCONZWLRPMQX-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.26
Rot. Bonds6

About 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol

1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol (PubChem CID 88661402) has the molecular formula C29H24O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol
PubChem CID88661402
Molecular FormulaC29H24O5
Molecular Weight452.51 g/mol
Exact Mass452.16
IUPAC Name1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol
SMILESOC(COC1=CC=CC2OC=c3ccccc3=C12)COC1=CC=CC2OC=c3ccccc3=C12
InChIInChI=1S/C29H24O5/c30-21(17-33-26-13-5-11-24-28(26)22-9-3-1-7-19(22)15-31-24)18-34-27-14-6-12-25-29(27)23-10-4-2-8-20(23)16-32-25/h1-16,21,24-25,30H,17-18H2
InChIKeyRNJCONZWLRPMQX-UHFFFAOYSA-N
XLogP1.26
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol?
The IUPAC name of 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol (CID 88661402) is 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol?
The canonical SMILES for 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol is OC(COC1=CC=CC2OC=c3ccccc3=C12)COC1=CC=CC2OC=c3ccccc3=C12.
What is the InChIKey of 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol?
The InChIKey is RNJCONZWLRPMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O5/c30-21(17-33-26-13-5-11-24-28(26)22-9-3-1-7-19(22)15-31-24)18-34-27-14-6-12-25-29(27)23-10-4-2-8-20(23)16-32-25/h1-16,21,24-25,30H,17-18H2.
What are the key properties of 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol?
1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol has a molecular weight of 452.51 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4aH-benzo[c]chromen-1-yloxy)propan-2-ol is sourced from PubChem (CID 88661402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).