(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol

C16H16Br2O3 — CID 104661023

IUPAC(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C16H16Br2O3/c1-3-21-15-7-5-11(9-13(15)18)16(19)10-4-6-14(20-2)12(17)8-10/h4-9,16,19H,3H2,1-2H3
InChIKeyLVTWCFNLEXTTQT-UHFFFAOYSA-N
MW416.11 g/mol
LogP4.70
Rot. Bonds5

About (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol

(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol (PubChem CID 104661023) has the molecular formula C16H16Br2O3 and a molecular weight of 416.11 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
PubChem CID104661023
Molecular FormulaC16H16Br2O3
Molecular Weight416.11 g/mol
Exact Mass413.95
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(OC)c(Br)c2)cc1Br
InChIInChI=1S/C16H16Br2O3/c1-3-21-15-7-5-11(9-13(15)18)16(19)10-4-6-14(20-2)12(17)8-10/h4-9,16,19H,3H2,1-2H3
InChIKeyLVTWCFNLEXTTQT-UHFFFAOYSA-N
XLogP4.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.11
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)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

(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(3-bromo-4-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61080516
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
(3-bromo-4-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 104658559
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
(3-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanol
CID 107955289
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
(3-bromo-4-methoxyphenyl)-(4-bromo-2-methoxyphenyl)methanol
CID 115369701
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol (CID 104661023) is (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol is CCOc1ccc(C(O)c2ccc(OC)c(Br)c2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol?
The InChIKey is LVTWCFNLEXTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O3/c1-3-21-15-7-5-11(9-13(15)18)16(19)10-4-6-14(20-2)12(17)8-10/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol?
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol has a molecular weight of 416.11 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol is sourced from PubChem (CID 104661023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).