1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene

C26H22O — CID 140968923

IUPAC1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene
SMILESCOc1ccc(C(c2cccc3c2Cc2ccccc2-3)C2C=CC=C2)cc1
InChIInChI=1S/C26H22O/c1-27-21-15-13-19(14-16-21)26(18-7-2-3-8-18)24-12-6-11-23-22-10-5-4-9-20(22)17-25(23)24/h2-16,18,26H,17H2,1H3
InChIKeyUBOJYSJRKYLHBC-UHFFFAOYSA-N
MW350.46 g/mol
LogP6.14
Rot. Bonds4

About 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene

1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene (PubChem CID 140968923) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene.

Molecular Properties

Compound Name1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene
PubChem CID140968923
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene
SMILESCOc1ccc(C(c2cccc3c2Cc2ccccc2-3)C2C=CC=C2)cc1
InChIInChI=1S/C26H22O/c1-27-21-15-13-19(14-16-21)26(18-7-2-3-8-18)24-12-6-11-23-22-10-5-4-9-20(22)17-25(23)24/h2-16,18,26H,17H2,1H3
InChIKeyUBOJYSJRKYLHBC-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-[1-[1-(1-methoxyethoxy)ethoxy]ethoxy]ethyl]-9H-fluorene
CID 175089715
4-(9H-fluoren-1-yl)pentan-2-ol
CID 151971706
1-(3,5-dimethoxyphenyl)-9H-fluorene
CID 152594732
3,6-ditert-butyl-1-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene
CID 151934582
1-[2,3-di(propan-2-yl)phenyl]-9H-fluorene
CID 151273743
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(1-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium(2+);dichloride
CID 19935939
1-(4-propan-2-yl-1H-inden-1-yl)-9H-fluorene
CID 22910379
1-(2,3-dimethoxyphenyl)-9H-fluorene
CID 150272251
2-(9H-fluoren-1-yl)butane-1,1,1-triol
CID 141018986
1-[2,6-di(propan-2-yl)phenyl]-2-(9H-fluoren-1-yl)-4-methylimidazole
CID 159190073
9H-fluoren-1-yl-tri(propan-2-yl)silane
CID 162150347

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene?
The IUPAC name of 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene (CID 140968923) is 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene.
What is the SMILES notation for 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene?
The canonical SMILES for 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene is COc1ccc(C(c2cccc3c2Cc2ccccc2-3)C2C=CC=C2)cc1.
What is the InChIKey of 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene?
The InChIKey is UBOJYSJRKYLHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-27-21-15-13-19(14-16-21)26(18-7-2-3-8-18)24-12-6-11-23-22-10-5-4-9-20(22)17-25(23)24/h2-16,18,26H,17H2,1H3.
What are the key properties of 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene?
1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene has a molecular weight of 350.46 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopenta-2,4-dien-1-yl-(4-methoxyphenyl)methyl]-9H-fluorene is sourced from PubChem (CID 140968923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).