4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]

C23H22O — CID 122372836

IUPAC4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]
SMILESCc1ccc(-c2c3c(cc4ccccc24)COC32CCCC2)cc1
InChIInChI=1S/C23H22O/c1-16-8-10-17(11-9-16)21-20-7-3-2-6-18(20)14-19-15-24-23(22(19)21)12-4-5-13-23/h2-3,6-11,14H,4-5,12-13,15H2,1H3
InChIKeyQMFJQROPTIIILH-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.11
Rot. Bonds1

About 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]

4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane] (PubChem CID 122372836) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane].

Molecular Properties

Compound Name4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]
PubChem CID122372836
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]
SMILESCc1ccc(-c2c3c(cc4ccccc24)COC32CCCC2)cc1
InChIInChI=1S/C23H22O/c1-16-8-10-17(11-9-16)21-20-7-3-2-6-18(20)14-19-15-24-23(22(19)21)12-4-5-13-23/h2-3,6-11,14H,4-5,12-13,15H2,1H3
InChIKeyQMFJQROPTIIILH-UHFFFAOYSA-N
XLogP6.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)-1,2-diphenylnaphthalene
CID 178068265
9-anthracen-9-ylanthracene;toluene
CID 86148014
2-[3,5-di(anthracen-9-yl)phenyl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 88542086
4-(4-spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium]-4-ylphenyl)spiro[1,3-dihydrobenzo[f]isoindol-2-ium-2,1'-azinan-1-ium] dibromide
CID 44659271
9,10-bis(4-methylphenyl)anthracene;methane
CID 162058146
9-[3-methyl-5-[10-(4-methylphenyl)anthracen-9-yl]phenyl]-10-(4-methylphenyl)anthracene
CID 58722434
3,6-bis[10-(4-methylphenyl)anthracen-9-yl]phenanthrene
CID 168838204
tetrakis(2,2-dimethylpropane);tris(9,10-diphenylanthracene);ethane;naphthalene;9-phenylanthracene;toluene
CID 160549128
2-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 154712991
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
ethane;2-[1-(4-methylphenyl)naphthalen-2-yl]triphenylene
CID 142592981
2,9-bis(4-methylphenyl)-10-phenanthren-9-ylanthracene
CID 156622206

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]?
The IUPAC name of 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane] (CID 122372836) is 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane].
What is the SMILES notation for 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]?
The canonical SMILES for 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane] is Cc1ccc(-c2c3c(cc4ccccc24)COC32CCCC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]?
The InChIKey is QMFJQROPTIIILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-16-8-10-17(11-9-16)21-20-7-3-2-6-18(20)14-19-15-24-23(22(19)21)12-4-5-13-23/h2-3,6-11,14H,4-5,12-13,15H2,1H3.
What are the key properties of 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane]?
4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane] has a molecular weight of 314.43 g/mol, XLogP of 6.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)spiro[1H-benzo[f][2]benzofuran-3,1'-cyclopentane] is sourced from PubChem (CID 122372836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).