1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene

C30H26O — CID 174750388

IUPAC1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene
SMILESC=Cc1ccc(COc2ccc(-c3ccccc3C3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C30H26O/c1-2-22-11-13-23(14-12-22)21-31-26-18-15-25(16-19-26)28-9-5-6-10-29(28)30-20-17-24-7-3-4-8-27(24)30/h2-16,18-19,30H,1,17,20-21H2
InChIKeyHAGIVBABDYTVNJ-UHFFFAOYSA-N
MW402.54 g/mol
LogP7.65
Rot. Bonds6

About 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene

1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene (PubChem CID 174750388) has the molecular formula C30H26O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene
PubChem CID174750388
Molecular FormulaC30H26O
Molecular Weight402.54 g/mol
Exact Mass402.20
IUPAC Name1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene
SMILESC=Cc1ccc(COc2ccc(-c3ccccc3C3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C30H26O/c1-2-22-11-13-23(14-12-22)21-31-26-18-15-25(16-19-26)28-9-5-6-10-29(28)30-20-17-24-7-3-4-8-27(24)30/h2-16,18-19,30H,1,17,20-21H2
InChIKeyHAGIVBABDYTVNJ-UHFFFAOYSA-N
XLogP7.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene?
The IUPAC name of 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene (CID 174750388) is 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene.
What is the SMILES notation for 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene?
The canonical SMILES for 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene is C=Cc1ccc(COc2ccc(-c3ccccc3C3CCc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene?
The InChIKey is HAGIVBABDYTVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O/c1-2-22-11-13-23(14-12-22)21-31-26-18-15-25(16-19-26)28-9-5-6-10-29(28)30-20-17-24-7-3-4-8-27(24)30/h2-16,18-19,30H,1,17,20-21H2.
What are the key properties of 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene?
1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene has a molecular weight of 402.54 g/mol, XLogP of 7.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-ethenylphenyl)methoxy]phenyl]phenyl]-2,3-dihydro-1H-indene is sourced from PubChem (CID 174750388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).