2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol

C18H19BrF2O3 — CID 68627293

IUPAC2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol
SMILESCCOc1cc(Br)cc(C(CO)c2ccc(OC(F)F)c(C)c2)c1
InChIInChI=1S/C18H19BrF2O3/c1-3-23-15-8-13(7-14(19)9-15)16(10-22)12-4-5-17(11(2)6-12)24-18(20)21/h4-9,16,18,22H,3,10H2,1-2H3
InChIKeyVZQGBYJRCLQYTP-UHFFFAOYSA-N
MW401.25 g/mol
LogP4.88
Rot. Bonds7

About 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol

2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol (PubChem CID 68627293) has the molecular formula C18H19BrF2O3 and a molecular weight of 401.25 g/mol. Its IUPAC name is 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol
PubChem CID68627293
Molecular FormulaC18H19BrF2O3
Molecular Weight401.25 g/mol
Exact Mass400.05
IUPAC Name2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol
SMILESCCOc1cc(Br)cc(C(CO)c2ccc(OC(F)F)c(C)c2)c1
InChIInChI=1S/C18H19BrF2O3/c1-3-23-15-8-13(7-14(19)9-15)16(10-22)12-4-5-17(11(2)6-12)24-18(20)21/h4-9,16,18,22H,3,10H2,1-2H3
InChIKeyVZQGBYJRCLQYTP-UHFFFAOYSA-N
XLogP4.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.25
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 50906468
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(1S,2S)-2-(5-bromo-2-fluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 71568461
alpha-(3-Bromophenyl)-4-(trifluoromethoxy)benZenemethanol
CID 177684009
2-(3-Bromobenzyl)-1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methylpentan-2-ol
CID 10310475
6-bromo-2,2-difluoro-4-(4-hydroxyphenyl)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromen-8-ol
CID 11610958
(5-Bromo-2-fluoro-phenyl)-(2-ethoxy-3,5-diisopropyl-phenyl)-methanol
CID 17952680
alpha-Ethyl-alpha-(3-trifluoromethylphenyl)-4-(3-bromopropoxy)-benzylalcohol
CID 20216262
1-Bromo-3-[[1-(4-ethoxyphenyl)-2,2-difluorocyclopropyl]methoxymethyl]benzene
CID 20252939
2-Bromo-1-fluoro-4-[[2-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]propoxy]methyl]benzene
CID 20252949
2-(3-Ethoxyphenyl)-4-methyl-1-(trifluoromethoxy)benzene
CID 20811385
5-Bromo-2-(3-fluoro-4-phenylmethoxyphenyl)-3,4,6-trimethylphenol
CID 21015055

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol?
The IUPAC name of 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol (CID 68627293) is 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol.
What is the SMILES notation for 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol?
The canonical SMILES for 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol is CCOc1cc(Br)cc(C(CO)c2ccc(OC(F)F)c(C)c2)c1.
What is the InChIKey of 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol?
The InChIKey is VZQGBYJRCLQYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrF2O3/c1-3-23-15-8-13(7-14(19)9-15)16(10-22)12-4-5-17(11(2)6-12)24-18(20)21/h4-9,16,18,22H,3,10H2,1-2H3.
What are the key properties of 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol?
2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol has a molecular weight of 401.25 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethoxyphenyl)-2-[4-(difluoromethoxy)-3-methylphenyl]ethanol is sourced from PubChem (CID 68627293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).