2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol

C115H89Br7F8O7 — CID 158095491

IUPAC2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(Br)c(O)c(-c2c3ccccc3cc3ccccc23)c1.Cc1cc(Br)c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cc1cc(Br)c(O)c(-c2cc(F)cc(F)c2)c1.Cc1cc(Br)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(Br)c(O)c(-c2ccccc2)c1.Cc1cc(Br)c(O)c(C2c3ccccc3-c3ccccc32)c1.Cc1cc(C)c(-c2cc(C)cc(Br)c2O)c(C)c1
InChIInChI=1S/C21H15BrO.C20H15BrO.C17H13BrO.C16H17BrO.C15H9BrF6O.C13H9BrF2O.C13H11BrO/c1-13-10-18(21(23)19(22)11-13)20-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20;1-12-10-17(20(22)18(21)11-12)19-15-8-4-2-6-13(15)14-7-3-5-9-16(14)19;1-11-9-15(17(19)16(18)10-11)14-8-4-6-12-5-2-3-7-13(12)14;1-9-5-11(3)15(12(4)6-9)13-7-10(2)8-14(17)16(13)18;1-7-2-11(13(23)12(16)3-7)8-4-9(14(17,18)19)6-10(5-8)15(20,21)22;1-7-2-11(13(17)12(14)3-7)8-4-9(15)6-10(16)5-8;1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h2-12,23H,1H3;2-11,19,22H,1H3;2-10,19H,1H3;5-8,18H,1-4H3;2-6,23H,1H3;2-6,17H,1H3;2-8,15H,1H3
InChIKeyFOPPEURERRDNAL-UHFFFAOYSA-N
MW2294.28 g/mol
LogP37.11
Rot. Bonds7

About 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol

2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol (PubChem CID 158095491) has the molecular formula C115H89Br7F8O7 and a molecular weight of 2294.28 g/mol. Its IUPAC name is 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol.

Molecular Properties

Compound Name2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol
PubChem CID158095491
Molecular FormulaC115H89Br7F8O7
Molecular Weight2294.28 g/mol
Exact Mass2286.08
IUPAC Name2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol
SMILESCc1cc(Br)c(O)c(-c2c3ccccc3cc3ccccc23)c1.Cc1cc(Br)c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cc1cc(Br)c(O)c(-c2cc(F)cc(F)c2)c1.Cc1cc(Br)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(Br)c(O)c(-c2ccccc2)c1.Cc1cc(Br)c(O)c(C2c3ccccc3-c3ccccc32)c1.Cc1cc(C)c(-c2cc(C)cc(Br)c2O)c(C)c1
InChIInChI=1S/C21H15BrO.C20H15BrO.C17H13BrO.C16H17BrO.C15H9BrF6O.C13H9BrF2O.C13H11BrO/c1-13-10-18(21(23)19(22)11-13)20-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20;1-12-10-17(20(22)18(21)11-12)19-15-8-4-2-6-13(15)14-7-3-5-9-16(14)19;1-11-9-15(17(19)16(18)10-11)14-8-4-6-12-5-2-3-7-13(12)14;1-9-5-11(3)15(12(4)6-9)13-7-10(2)8-14(17)16(13)18;1-7-2-11(13(23)12(16)3-7)8-4-9(14(17,18)19)6-10(5-8)15(20,21)22;1-7-2-11(13(17)12(14)3-7)8-4-9(15)6-10(16)5-8;1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h2-12,23H,1H3;2-11,19,22H,1H3;2-10,19H,1H3;5-8,18H,1-4H3;2-6,23H,1H3;2-6,17H,1H3;2-8,15H,1H3
InChIKeyFOPPEURERRDNAL-UHFFFAOYSA-N
XLogP37.11
TPSA141.61 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms137
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002294.28
LogP ≤ 537.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
The IUPAC name of 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol (CID 158095491) is 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol.
What is the SMILES notation for 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
The canonical SMILES for 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol is Cc1cc(Br)c(O)c(-c2c3ccccc3cc3ccccc23)c1.Cc1cc(Br)c(O)c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1.Cc1cc(Br)c(O)c(-c2cc(F)cc(F)c2)c1.Cc1cc(Br)c(O)c(-c2cccc3ccccc23)c1.Cc1cc(Br)c(O)c(-c2ccccc2)c1.Cc1cc(Br)c(O)c(C2c3ccccc3-c3ccccc32)c1.Cc1cc(C)c(-c2cc(C)cc(Br)c2O)c(C)c1.
What is the InChIKey of 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
The InChIKey is FOPPEURERRDNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrO.C20H15BrO.C17H13BrO.C16H17BrO.C15H9BrF6O.C13H9BrF2O.C13H11BrO/c1-13-10-18(21(23)19(22)11-13)20-16-8-4-2-6-14(16)12-15-7-3-5-9-17(15)20;1-12-10-17(20(22)18(21)11-12)19-15-8-4-2-6-13(15)14-7-3-5-9-16(14)19;1-11-9-15(17(19)16(18)10-11)14-8-4-6-12-5-2-3-7-13(12)14;1-9-5-11(3)15(12(4)6-9)13-7-10(2)8-14(17)16(13)18;1-7-2-11(13(23)12(16)3-7)8-4-9(14(17,18)19)6-10(5-8)15(20,21)22;1-7-2-11(13(17)12(14)3-7)8-4-9(15)6-10(16)5-8;1-9-7-11(13(15)12(14)8-9)10-5-3-2-4-6-10/h2-12,23H,1H3;2-11,19,22H,1H3;2-10,19H,1H3;5-8,18H,1-4H3;2-6,23H,1H3;2-6,17H,1H3;2-8,15H,1H3.
What are the key properties of 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol?
2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol has a molecular weight of 2294.28 g/mol, XLogP of 37.11, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anthracen-9-yl-6-bromo-4-methylphenol;2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-4-methylphenol;2-bromo-6-(3,5-difluorophenyl)-4-methylphenol;2-bromo-6-(9H-fluoren-9-yl)-4-methylphenol;2-bromo-4-methyl-6-naphthalen-1-ylphenol;2-bromo-4-methyl-6-phenylphenol;2-bromo-4-methyl-6-(2,4,6-trimethylphenyl)phenol is sourced from PubChem (CID 158095491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).