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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Related Compounds

5-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazol-3-one
CID 123474642
6-methyl-2-[4-[[(1R)-4-phenoxy-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,3,6,2-dioxazaborocane-4,8-dione
CID 70938335
(1R)-4-[4-(2-methylpropyl)phenyl]-1-phenoxy-2,3-dihydro-1H-indene
CID 141406449
3-[[(1R)-1-[4-(1,3-dioxo-1,2-thiazol-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]benzamide
CID 123777303
5-[4-[[(1R)-4-[(6-methoxy-3-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazolidin-3-one
CID 67121908
5-[4-[[(1R)-4-[3-(2-hydroxyethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123720904
2-[4-[[(1R)-4-[(6-methoxy-2-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-6-methyl-1,3,6,2-dioxazaborocane-4,8-dione
CID 70938361
2-phenoxycyclobutan-1-one
CID 12791410
(2-phenoxyphenyl)cycloheptane
CID 56995549
ethyl 3-(aminomethylamino)-3-[4-[[(1R)-4-(4-cyanophenoxy)-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]propanoate
CID 158460804
1-phenoxy-4-phenyl-1,2,3,4-tetrahydronaphthalene
CID 173318762
5-[4-[[4-[(3-methoxy-4-pyridinyl)oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1-oxo-1,2-thiazol-3-one
CID 123317451

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).