1,4-diphenoxy-2,3-dihydro-1H-indene

C21H18O2 — CID 141398687

IUPAC1,4-diphenoxy-2,3-dihydro-1H-indene
SMILESc1ccc(Oc2cccc3c2CCC3Oc2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-3-8-16(9-4-1)22-20-13-7-12-18-19(20)14-15-21(18)23-17-10-5-2-6-11-17/h1-13,21H,14-15H2
InChIKeyFNMXSHPVCSUFAA-UHFFFAOYSA-N
MW302.37 g/mol
LogP5.55
Rot. Bonds4

About 1,4-diphenoxy-2,3-dihydro-1H-indene

1,4-diphenoxy-2,3-dihydro-1H-indene (PubChem CID 141398687) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1,4-diphenoxy-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,4-diphenoxy-2,3-dihydro-1H-indene
PubChem CID141398687
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name1,4-diphenoxy-2,3-dihydro-1H-indene
SMILESc1ccc(Oc2cccc3c2CCC3Oc2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-3-8-16(9-4-1)22-20-13-7-12-18-19(20)14-15-21(18)23-17-10-5-2-6-11-17/h1-13,21H,14-15H2
InChIKeyFNMXSHPVCSUFAA-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenoxy-2,3-dihydro-1H-indene?
The IUPAC name of 1,4-diphenoxy-2,3-dihydro-1H-indene (CID 141398687) is 1,4-diphenoxy-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,4-diphenoxy-2,3-dihydro-1H-indene?
The canonical SMILES for 1,4-diphenoxy-2,3-dihydro-1H-indene is c1ccc(Oc2cccc3c2CCC3Oc2ccccc2)cc1.
What is the InChIKey of 1,4-diphenoxy-2,3-dihydro-1H-indene?
The InChIKey is FNMXSHPVCSUFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-3-8-16(9-4-1)22-20-13-7-12-18-19(20)14-15-21(18)23-17-10-5-2-6-11-17/h1-13,21H,14-15H2.
What are the key properties of 1,4-diphenoxy-2,3-dihydro-1H-indene?
1,4-diphenoxy-2,3-dihydro-1H-indene has a molecular weight of 302.37 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenoxy-2,3-dihydro-1H-indene is sourced from PubChem (CID 141398687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).