(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol

C16H16BrClO2 — CID 81324876

IUPAC(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H16BrClO2/c1-3-20-15-5-4-12(17)9-14(15)16(19)11-6-10(2)7-13(18)8-11/h4-9,16,19H,3H2,1-2H3
InChIKeyBFEFNIKNHWNMRK-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.89
Rot. Bonds4

About (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol

(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 81324876) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
PubChem CID81324876
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCOc1ccc(Br)cc1C(O)c1cc(C)cc(Cl)c1
InChIInChI=1S/C16H16BrClO2/c1-3-20-15-5-4-12(17)9-14(15)16(19)11-6-10(2)7-13(18)8-11/h4-9,16,19H,3H2,1-2H3
InChIKeyBFEFNIKNHWNMRK-UHFFFAOYSA-N
XLogP4.89
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 104661029
(5-bromo-2-ethoxyphenyl)-(4-bromophenyl)methanol
CID 61081643
(3-chloro-5-methylphenyl)-(2,5-dibromophenyl)methanol
CID 81324953
(5-bromo-2-ethoxyphenyl)-(3-bromophenyl)methanol
CID 61082247
(5-bromo-2-ethoxyphenyl)-(5-bromo-2-methylphenyl)methanol
CID 65306945
(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
CID 107991194
(3,5-dichlorophenyl)-(2-ethoxyphenyl)methanol
CID 63899517
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
4-bromo-2-[chloro-(4-methylphenyl)methyl]-1-ethoxybenzene
CID 63434314
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(5-bromo-2-ethoxyphenyl)-(2-iodophenyl)methanol
CID 61081064

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol (CID 81324876) is (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol is CCOc1ccc(Br)cc1C(O)c1cc(C)cc(Cl)c1.
What is the InChIKey of (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is BFEFNIKNHWNMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-3-20-15-5-4-12(17)9-14(15)16(19)11-6-10(2)7-13(18)8-11/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol has a molecular weight of 355.66 g/mol, XLogP of 4.89, 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)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 81324876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).