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

C17H19BrO2 — CID 67459476

IUPAC(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(CC)cc2)cc1Br
InChIInChI=1S/C17H19BrO2/c1-3-12-5-7-13(8-6-12)17(19)14-9-10-16(20-4-2)15(18)11-14/h5-11,17,19H,3-4H2,1-2H3
InChIKeyFASJZJDDDRTFFF-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.49
Rot. Bonds5

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

(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol (PubChem CID 67459476) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
PubChem CID67459476
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
SMILESCCOc1ccc(C(O)c2ccc(CC)cc2)cc1Br
InChIInChI=1S/C17H19BrO2/c1-3-12-5-7-13(8-6-12)17(19)14-9-10-16(20-4-2)15(18)11-14/h5-11,17,19H,3-4H2,1-2H3
InChIKeyFASJZJDDDRTFFF-UHFFFAOYSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
(3-bromo-4-ethoxyphenyl)-(2-iodophenyl)methanol
CID 104661098
1-(3-bromo-4-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 104661097
1-(3-bromo-4-ethoxyphenyl)pentan-1-ol
CID 104661010
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
1-(3-bromo-4-ethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 104661035
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol (CID 67459476) is (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol is CCOc1ccc(C(O)c2ccc(CC)cc2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol?
The InChIKey is FASJZJDDDRTFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-3-12-5-7-13(8-6-12)17(19)14-9-10-16(20-4-2)15(18)11-14/h5-11,17,19H,3-4H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol?
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol has a molecular weight of 335.24 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol is sourced from PubChem (CID 67459476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).