1H-indene;phenol;styrene

C23H22O — CID 68536475

IUPAC1H-indene;phenol;styrene
SMILESC1=Cc2ccccc2C1.C=Cc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H8.C8H8.C6H6O/c1-2-5-9-7-3-6-8(9)4-1;1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h1-6H,7H2;2-7H,1H2;1-5,7H
InChIKeyGPCXMLFPENNRSI-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.98
Rot. Bonds1

About 1H-indene;phenol;styrene

1H-indene;phenol;styrene (PubChem CID 68536475) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1H-indene;phenol;styrene.

Molecular Properties

Compound Name1H-indene;phenol;styrene
PubChem CID68536475
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name1H-indene;phenol;styrene
SMILESC1=Cc2ccccc2C1.C=Cc1ccccc1.Oc1ccccc1
InChIInChI=1S/C9H8.C8H8.C6H6O/c1-2-5-9-7-3-6-8(9)4-1;1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h1-6H,7H2;2-7H,1H2;1-5,7H
InChIKeyGPCXMLFPENNRSI-UHFFFAOYSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indene;phenol
CID 22398273
1H-indene;2-methylprop-1-enylbenzene
CID 159355673
1-benzofuran;1H-indene;styrene
CID 158200445
hydrogen peroxide;1H-indene;hydrobromide
CID 158452751
phenol;styrene
CID 160675765
1-chloro-4-ethenylbenzene;2-ethenylphenol;1H-indene
CID 67232908
benzene;ethene;phenol;styrene
CID 174599559
copper;1H-indene
CID 175216856
1H-indene;methane
CID 157370172
1H-indene;methane
CID 22114429
1,4-diphenylbenzene;1H-indene
CID 156634731
azulene;1H-indene
CID 160524105

Frequently Asked Questions

What is the IUPAC name of 1H-indene;phenol;styrene?
The IUPAC name of 1H-indene;phenol;styrene (CID 68536475) is 1H-indene;phenol;styrene.
What is the SMILES notation for 1H-indene;phenol;styrene?
The canonical SMILES for 1H-indene;phenol;styrene is C1=Cc2ccccc2C1.C=Cc1ccccc1.Oc1ccccc1.
What is the InChIKey of 1H-indene;phenol;styrene?
The InChIKey is GPCXMLFPENNRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C8H8.C6H6O/c1-2-5-9-7-3-6-8(9)4-1;1-2-8-6-4-3-5-7-8;7-6-4-2-1-3-5-6/h1-6H,7H2;2-7H,1H2;1-5,7H.
What are the key properties of 1H-indene;phenol;styrene?
1H-indene;phenol;styrene has a molecular weight of 314.43 g/mol, XLogP of 5.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indene;phenol;styrene is sourced from PubChem (CID 68536475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).