(5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol

C22H20BrFO3 — CID 146242039

IUPAC(5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol
SMILESCc1cc(OCc2ccccc2)c(Br)cc1C(O)c1ccc(OCF)cc1
InChIInChI=1S/C22H20BrFO3/c1-15-11-21(26-13-16-5-3-2-4-6-16)20(23)12-19(15)22(25)17-7-9-18(10-8-17)27-14-24/h2-12,22,25H,13-14H2,1H3
InChIKeySDMAONJQXRWVTM-UHFFFAOYSA-N
MW431.30 g/mol
LogP5.72
Rot. Bonds7

About (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol

(5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol (PubChem CID 146242039) has the molecular formula C22H20BrFO3 and a molecular weight of 431.30 g/mol. Its IUPAC name is (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol
PubChem CID146242039
Molecular FormulaC22H20BrFO3
Molecular Weight431.30 g/mol
Exact Mass430.06
IUPAC Name(5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol
SMILESCc1cc(OCc2ccccc2)c(Br)cc1C(O)c1ccc(OCF)cc1
InChIInChI=1S/C22H20BrFO3/c1-15-11-21(26-13-16-5-3-2-4-6-16)20(23)12-19(15)22(25)17-7-9-18(10-8-17)27-14-24/h2-12,22,25H,13-14H2,1H3
InChIKeySDMAONJQXRWVTM-UHFFFAOYSA-N
XLogP5.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.30
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(Benzyloxy)-6-bromonaphthalen-2-ol
CID 74892820
[4-(3-Bromobenzyloxy)phenyl](cyclopropyl)methanol
CID 50906468
[4-(4-Bromobenzyloxy)phenyl](cyclopropyl)methanol
CID 50906679
6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
CID 162654197
2-(3-Bromo-4-(4-fluoro-2,6-dimethylphenoxy)phenyl)propan-2-ol
CID 132010847
{3-Bromo-4-[(4-fluorobenzyl)oxy]phenyl}methanol
CID 898561
(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
5-[(1S)-1-(4-bromophenyl)-4,4,4-trifluorobutoxy]-2-(4-tert-butylphenyl)-1,3-dimethylbenzene
CID 134953140
3-bromo-2-[(E)-3-(4-fluorophenyl)prop-2-enoxy]-1-methylnaphthalene
CID 135067953
(1R,3R)-1-(4-bromophenyl)-3-(fluoromethyl)-3-(4-methoxyphenyl)-1H-2-benzofuran
CID 154713773
(1R,2R)-2-(4-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 166438703
5-Bromo-1-(fluoromethyl)-3-methyl-2-(4-phenylmethoxyphenyl)benzene
CID 177853273

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol?
The IUPAC name of (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol (CID 146242039) is (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol is Cc1cc(OCc2ccccc2)c(Br)cc1C(O)c1ccc(OCF)cc1.
What is the InChIKey of (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol?
The InChIKey is SDMAONJQXRWVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrFO3/c1-15-11-21(26-13-16-5-3-2-4-6-16)20(23)12-19(15)22(25)17-7-9-18(10-8-17)27-14-24/h2-12,22,25H,13-14H2,1H3.
What are the key properties of (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol?
(5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol has a molecular weight of 431.30 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methyl-4-phenylmethoxyphenyl)-[4-(fluoromethoxy)phenyl]methanol is sourced from PubChem (CID 146242039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).