(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol

C16H16Br2O2 — CID 65306945

IUPAC(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1cc(Br)ccc1C
InChIInChI=1S/C16H16Br2O2/c1-3-20-15-7-6-12(18)9-14(15)16(19)13-8-11(17)5-4-10(13)2/h4-9,16,19H,3H2,1-2H3
InChIKeyYDMDDVSTFLLWQT-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.00
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol

(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol (PubChem CID 65306945) has the molecular formula C16H16Br2O2 and a molecular weight of 400.11 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
PubChem CID65306945
Molecular FormulaC16H16Br2O2
Molecular Weight400.11 g/mol
Exact Mass397.95
IUPAC Name(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1cc(Br)ccc1C
InChIInChI=1S/C16H16Br2O2/c1-3-20-15-7-6-12(18)9-14(15)16(19)13-8-11(17)5-4-10(13)2/h4-9,16,19H,3H2,1-2H3
InChIKeyYDMDDVSTFLLWQT-UHFFFAOYSA-N
XLogP5.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61081064
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
CID 107991194
(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324876
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
1-(5-bromo-2-ethoxyphenyl)propan-1-amine
CID 43243938
(2R)-2-amino-2-(5-bromo-2-ethoxyphenyl)ethanol
CID 66515336
(2,4-dibromophenyl)-(2-ethoxyphenyl)methanol
CID 107947466
3-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 53417383

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol (CID 65306945) is (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol is CCOc1ccc(Br)cc1C(O)c1cc(Br)ccc1C.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol?
The InChIKey is YDMDDVSTFLLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O2/c1-3-20-15-7-6-12(18)9-14(15)16(19)13-8-11(17)5-4-10(13)2/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol?
(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol has a molecular weight of 400.11 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol is sourced from PubChem (CID 65306945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).