(1S)-1-phenoxy-3-phenyl-1H-indene

C21H16O — CID 7055915

IUPAC(1S)-1-phenoxy-3-phenyl-1H-indene
SMILESC1=C(c2ccccc2)c2ccccc2[C@H]1Oc1ccccc1
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)20-15-21(19-14-8-7-13-18(19)20)22-17-11-5-2-6-12-17/h1-15,21H/t21-/m0/s1
InChIKeyBQRCOLYEJUEMAG-NRFANRHFSA-N
MW284.36 g/mol
LogP5.25
Rot. Bonds3

About (1S)-1-phenoxy-3-phenyl-1H-indene

(1S)-1-phenoxy-3-phenyl-1H-indene (PubChem CID 7055915) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1S)-1-phenoxy-3-phenyl-1H-indene.

Molecular Properties

Compound Name(1S)-1-phenoxy-3-phenyl-1H-indene
PubChem CID7055915
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name(1S)-1-phenoxy-3-phenyl-1H-indene
SMILESC1=C(c2ccccc2)c2ccccc2[C@H]1Oc1ccccc1
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)20-15-21(19-14-8-7-13-18(19)20)22-17-11-5-2-6-12-17/h1-15,21H/t21-/m0/s1
InChIKeyBQRCOLYEJUEMAG-NRFANRHFSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 87518738
CID 87518738
1-(4-methoxyphenyl)-3-phenyl-1H-indene
CID 101476128
1-ethynyl-3-phenyl-1H-indene
CID 142456499
1-(2-methylpropyl)-3-phenyl-1H-indene
CID 163497952
1-hydroxy-4-phenyl-1H-naphthalen-2-one
CID 146600590
1-phenoxy-1,4-dihydronaphthalene
CID 173112975
diethyl-(3-phenyl-1H-inden-1-yl)-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 153307772
methyl 4-(3-phenyl-3H-inden-1-yl)benzoate
CID 135027301
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
8,9,16,17-tetrabromotetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,10,12,14,18,20-nonaene
CID 11135759
3-(4-ethylphenyl)-1-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)-1H-indene
CID 174900858
9-phenoxy-9H-xanthene
CID 66915285

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenoxy-3-phenyl-1H-indene?
The IUPAC name of (1S)-1-phenoxy-3-phenyl-1H-indene (CID 7055915) is (1S)-1-phenoxy-3-phenyl-1H-indene.
What is the SMILES notation for (1S)-1-phenoxy-3-phenyl-1H-indene?
The canonical SMILES for (1S)-1-phenoxy-3-phenyl-1H-indene is C1=C(c2ccccc2)c2ccccc2[C@H]1Oc1ccccc1.
What is the InChIKey of (1S)-1-phenoxy-3-phenyl-1H-indene?
The InChIKey is BQRCOLYEJUEMAG-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16O/c1-3-9-16(10-4-1)20-15-21(19-14-8-7-13-18(19)20)22-17-11-5-2-6-12-17/h1-15,21H/t21-/m0/s1.
What are the key properties of (1S)-1-phenoxy-3-phenyl-1H-indene?
(1S)-1-phenoxy-3-phenyl-1H-indene has a molecular weight of 284.36 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenoxy-3-phenyl-1H-indene is sourced from PubChem (CID 7055915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).