9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene

C29H25BrO2 — CID 154622861

IUPAC9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene
SMILESCOCOc1c(-c2ccccc2Br)cc(C)cc1C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H25BrO2/c1-19-16-23(22-12-6-9-15-27(22)30)28(32-18-31-3)26(17-19)29(2)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29/h4-17H,18H2,1-3H3
InChIKeySIHDBCQAFYURFZ-UHFFFAOYSA-N
MW485.42 g/mol
LogP7.74
Rot. Bonds5

About 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene

9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene (PubChem CID 154622861) has the molecular formula C29H25BrO2 and a molecular weight of 485.42 g/mol. Its IUPAC name is 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene.

Molecular Properties

Compound Name9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene
PubChem CID154622861
Molecular FormulaC29H25BrO2
Molecular Weight485.42 g/mol
Exact Mass484.10
IUPAC Name9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene
SMILESCOCOc1c(-c2ccccc2Br)cc(C)cc1C1(C)c2ccccc2-c2ccccc21
InChIInChI=1S/C29H25BrO2/c1-19-16-23(22-12-6-9-15-27(22)30)28(32-18-31-3)26(17-19)29(2)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29/h4-17H,18H2,1-3H3
InChIKeySIHDBCQAFYURFZ-UHFFFAOYSA-N
XLogP7.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.42
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene?
The IUPAC name of 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene (CID 154622861) is 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene.
What is the SMILES notation for 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene?
The canonical SMILES for 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene is COCOc1c(-c2ccccc2Br)cc(C)cc1C1(C)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene?
The InChIKey is SIHDBCQAFYURFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25BrO2/c1-19-16-23(22-12-6-9-15-27(22)30)28(32-18-31-3)26(17-19)29(2)24-13-7-4-10-20(24)21-11-5-8-14-25(21)29/h4-17H,18H2,1-3H3.
What are the key properties of 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene?
9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene has a molecular weight of 485.42 g/mol, XLogP of 7.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-bromophenyl)-2-(methoxymethoxy)-5-methylphenyl]-9-methylfluorene is sourced from PubChem (CID 154622861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).