2-(4-methoxyphenyl)-9,9-dimethylfluorene

C22H20O — CID 70895594

IUPAC2-(4-methoxyphenyl)-9,9-dimethylfluorene
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C22H20O/c1-22(2)20-7-5-4-6-18(20)19-13-10-16(14-21(19)22)15-8-11-17(23-3)12-9-15/h4-14H,1-3H3
InChIKeySGNGDTYWIBDJLC-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.67
Rot. Bonds2

About 2-(4-methoxyphenyl)-9,9-dimethylfluorene

2-(4-methoxyphenyl)-9,9-dimethylfluorene (PubChem CID 70895594) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-9,9-dimethylfluorene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-9,9-dimethylfluorene
PubChem CID70895594
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name2-(4-methoxyphenyl)-9,9-dimethylfluorene
SMILESCOc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1
InChIInChI=1S/C22H20O/c1-22(2)20-7-5-4-6-18(20)19-13-10-16(14-21(19)22)15-8-11-17(23-3)12-9-15/h4-14H,1-3H3
InChIKeySGNGDTYWIBDJLC-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-9,9-dimethylfluorene?
The IUPAC name of 2-(4-methoxyphenyl)-9,9-dimethylfluorene (CID 70895594) is 2-(4-methoxyphenyl)-9,9-dimethylfluorene.
What is the SMILES notation for 2-(4-methoxyphenyl)-9,9-dimethylfluorene?
The canonical SMILES for 2-(4-methoxyphenyl)-9,9-dimethylfluorene is COc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-9,9-dimethylfluorene?
The InChIKey is SGNGDTYWIBDJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-22(2)20-7-5-4-6-18(20)19-13-10-16(14-21(19)22)15-8-11-17(23-3)12-9-15/h4-14H,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-9,9-dimethylfluorene?
2-(4-methoxyphenyl)-9,9-dimethylfluorene has a molecular weight of 300.40 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-9,9-dimethylfluorene is sourced from PubChem (CID 70895594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).