2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene

C24H23BrO — CID 139257862

IUPAC2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene
SMILESCCC1(CC)c2cc(Br)ccc2-c2ccc(-c3ccc(OC)cc3)cc21
InChIInChI=1S/C24H23BrO/c1-4-24(5-2)22-14-17(16-6-10-19(26-3)11-7-16)8-12-20(22)21-13-9-18(25)15-23(21)24/h6-15H,4-5H2,1-3H3
InChIKeyQXYDVBRPBINZJP-UHFFFAOYSA-N
MW407.35 g/mol
LogP7.21
Rot. Bonds4

About 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene

2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene (PubChem CID 139257862) has the molecular formula C24H23BrO and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene.

Molecular Properties

Compound Name2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene
PubChem CID139257862
Molecular FormulaC24H23BrO
Molecular Weight407.35 g/mol
Exact Mass406.09
IUPAC Name2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene
SMILESCCC1(CC)c2cc(Br)ccc2-c2ccc(-c3ccc(OC)cc3)cc21
InChIInChI=1S/C24H23BrO/c1-4-24(5-2)22-14-17(16-6-10-19(26-3)11-7-16)8-12-20(22)21-13-9-18(25)15-23(21)24/h6-15H,4-5H2,1-3H3
InChIKeyQXYDVBRPBINZJP-UHFFFAOYSA-N
XLogP7.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.35
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-Bromo-1-(fluoromethyl)-3-methyl-2-(4-phenylmethoxyphenyl)benzene
CID 177853273
9-[(2-Bromo-4-methoxyphenyl)methylidene]fluorene
CID 13610052
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CID 70895594
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CID 71486227
2,6-Dibromo-4,4-bis(4-((2-ethylhexyl)oxy)phenyl)-4h-cyclopenta[def]phenanthrene
CID 102028757
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CID 129626399
2,7-Dibromo-9-(4-(octyloxy)phenyl)-fluorene
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CID 154574400

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene?
The IUPAC name of 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene (CID 139257862) is 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene.
What is the SMILES notation for 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene?
The canonical SMILES for 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene is CCC1(CC)c2cc(Br)ccc2-c2ccc(-c3ccc(OC)cc3)cc21.
What is the InChIKey of 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene?
The InChIKey is QXYDVBRPBINZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrO/c1-4-24(5-2)22-14-17(16-6-10-19(26-3)11-7-16)8-12-20(22)21-13-9-18(25)15-23(21)24/h6-15H,4-5H2,1-3H3.
What are the key properties of 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene?
2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene has a molecular weight of 407.35 g/mol, XLogP of 7.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,9-diethyl-7-(4-methoxyphenyl)fluorene is sourced from PubChem (CID 139257862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).