3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene

C24H20 — CID 144931304

IUPAC3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene
SMILESC#Cc1ccc(C2(c3ccc(C)cc3)CCc3ccccc32)cc1
InChIInChI=1S/C24H20/c1-3-19-10-14-22(15-11-19)24(21-12-8-18(2)9-13-21)17-16-20-6-4-5-7-23(20)24/h1,4-15H,16-17H2,2H3
InChIKeyQOOJAJWHOVKMSB-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.26
Rot. Bonds2

About 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene

3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene (PubChem CID 144931304) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene.

Molecular Properties

Compound Name3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene
PubChem CID144931304
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene
SMILESC#Cc1ccc(C2(c3ccc(C)cc3)CCc3ccccc32)cc1
InChIInChI=1S/C24H20/c1-3-19-10-14-22(15-11-19)24(21-12-8-18(2)9-13-21)17-16-20-6-4-5-7-23(20)24/h1,4-15H,16-17H2,2H3
InChIKeyQOOJAJWHOVKMSB-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-methylphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-amine
CID 54919324
1-ethynyl-4-methylbenzene;formaldehyde;methane
CID 143289915
1-ethynyl-3,4-dihydro-2H-naphthalen-1-ol
CID 12840344
1-methyl-1,3-bis(4-methylphenyl)-3-phenyl-2H-indene
CID 86216141
(1S)-1-[(1S)-1-hydroxy-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-ol
CID 10957368
ethynylbenzene;4-methylbenzoic acid
CID 174779581
5-but-3-ynyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 63656307
4,4-dimethyl-2-[(1R)-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]-5H-1,3-oxazole
CID 139090329
2-methyl-2-(4-methylphenyl)-3,4-dihydronaphthalen-1-one
CID 86243907
(1R)-N-methyl-1-prop-2-ynyl-2,3-dihydroinden-1-amine
CID 140604704
7-ethynyl-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 156754029
1',4'-dimethylspiro[1,2-dihydroindene-3,3'-indole]-2'-one
CID 102369514

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene?
The IUPAC name of 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene (CID 144931304) is 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene.
What is the SMILES notation for 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene?
The canonical SMILES for 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene is C#Cc1ccc(C2(c3ccc(C)cc3)CCc3ccccc32)cc1.
What is the InChIKey of 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene?
The InChIKey is QOOJAJWHOVKMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-3-19-10-14-22(15-11-19)24(21-12-8-18(2)9-13-21)17-16-20-6-4-5-7-23(20)24/h1,4-15H,16-17H2,2H3.
What are the key properties of 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene?
3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene has a molecular weight of 308.42 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethynylphenyl)-3-(4-methylphenyl)-1,2-dihydroindene is sourced from PubChem (CID 144931304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).