9,9-bis(4-ethoxy-3-methylphenyl)fluorene

C31H30O2 — CID 143337003

IUPAC9,9-bis(4-ethoxy-3-methylphenyl)fluorene
SMILESCCOc1ccc(C2(c3ccc(OCC)c(C)c3)c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C31H30O2/c1-5-32-29-17-15-23(19-21(29)3)31(24-16-18-30(33-6-2)22(4)20-24)27-13-9-7-11-25(27)26-12-8-10-14-28(26)31/h7-20H,5-6H2,1-4H3
InChIKeyOUSCOQNRFFCAFF-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.46
Rot. Bonds6

About 9,9-bis(4-ethoxy-3-methylphenyl)fluorene

9,9-bis(4-ethoxy-3-methylphenyl)fluorene (PubChem CID 143337003) has the molecular formula C31H30O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 9,9-bis(4-ethoxy-3-methylphenyl)fluorene.

Molecular Properties

Compound Name9,9-bis(4-ethoxy-3-methylphenyl)fluorene
PubChem CID143337003
Molecular FormulaC31H30O2
Molecular Weight434.58 g/mol
Exact Mass434.22
IUPAC Name9,9-bis(4-ethoxy-3-methylphenyl)fluorene
SMILESCCOc1ccc(C2(c3ccc(OCC)c(C)c3)c3ccccc3-c3ccccc32)cc1C
InChIInChI=1S/C31H30O2/c1-5-32-29-17-15-23(19-21(29)3)31(24-16-18-30(33-6-2)22(4)20-24)27-13-9-7-11-25(27)26-12-8-10-14-28(26)31/h7-20H,5-6H2,1-4H3
InChIKeyOUSCOQNRFFCAFF-UHFFFAOYSA-N
XLogP7.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-[9-[4-(3-hydroxypropoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]propan-1-ol
CID 57260014
9,9-bis(6-ethoxynaphthalen-2-yl)fluorene
CID 166857178
9-(4-ethoxyphenyl)-9-phenylfluorene
CID 135250989
[2-methyl-4-[9-[3-methyl-4-(2-methylphenyl)sulfonyloxyphenyl]fluoren-9-yl]phenyl] 2-methylbenzenesulfonate
CID 87584123
9,9-bis(4-iodo-3,5-dimethylphenyl)fluorene
CID 170621532
9-(4-ethoxyphenyl)-9-(4-methoxyphenyl)fluorene
CID 21037516
3-[4-[9-[4-(3-amino-2-propan-2-ylphenoxy)-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-2-propan-2-ylaniline
CID 67408872
4-[4-[9-[4-(4-amino-2-methylphenoxy)-3-propan-2-ylphenyl]fluoren-9-yl]-2-propan-2-ylphenoxy]-3-methylaniline
CID 67411542
[6-[9-(6-ethoxynaphthalen-2-yl)fluoren-9-yl]naphthalen-2-yl]oxymethanol
CID 160805609
9,9-bis(4-methylphenyl)fluorene;propane
CID 144938703
3-[4-[9-[4-[5-amino-2-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-4-(trifluoromethyl)aniline
CID 87389463
2-[4-[9-[4-[2-amino-6-(trifluoromethyl)phenoxy]-3-methylphenyl]fluoren-9-yl]-2-methylphenoxy]-3-(trifluoromethyl)aniline
CID 87388699

Frequently Asked Questions

What is the IUPAC name of 9,9-bis(4-ethoxy-3-methylphenyl)fluorene?
The IUPAC name of 9,9-bis(4-ethoxy-3-methylphenyl)fluorene (CID 143337003) is 9,9-bis(4-ethoxy-3-methylphenyl)fluorene.
What is the SMILES notation for 9,9-bis(4-ethoxy-3-methylphenyl)fluorene?
The canonical SMILES for 9,9-bis(4-ethoxy-3-methylphenyl)fluorene is CCOc1ccc(C2(c3ccc(OCC)c(C)c3)c3ccccc3-c3ccccc32)cc1C.
What is the InChIKey of 9,9-bis(4-ethoxy-3-methylphenyl)fluorene?
The InChIKey is OUSCOQNRFFCAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30O2/c1-5-32-29-17-15-23(19-21(29)3)31(24-16-18-30(33-6-2)22(4)20-24)27-13-9-7-11-25(27)26-12-8-10-14-28(26)31/h7-20H,5-6H2,1-4H3.
What are the key properties of 9,9-bis(4-ethoxy-3-methylphenyl)fluorene?
9,9-bis(4-ethoxy-3-methylphenyl)fluorene has a molecular weight of 434.58 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-bis(4-ethoxy-3-methylphenyl)fluorene is sourced from PubChem (CID 143337003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).