(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol

C16H16BrClO2 — CID 104661029

IUPAC(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-3-20-15-5-4-11(9-14(15)17)16(19)12-6-10(2)7-13(18)8-12/h4-9,16,19H,3H2,1-2H3
InChIKeyKHCOUCSSPUZZIU-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.89
Rot. Bonds4

About (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol

(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol (PubChem CID 104661029) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
PubChem CID104661029
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1Br
InChIInChI=1S/C16H16BrClO2/c1-3-20-15-5-4-11(9-14(15)17)16(19)12-6-10(2)7-13(18)8-12/h4-9,16,19H,3H2,1-2H3
InChIKeyKHCOUCSSPUZZIU-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

(5-bromo-2-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324876
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
(3-bromo-4-ethoxyphenyl)-(4-ethylphenyl)methanol
CID 67459476
(3-chloro-4-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324307
(3-bromo-4-propoxyphenyl)-(4-chlorophenyl)methanol
CID 104661171
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
(4-chloro-3-methoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 115818074
(4-butan-2-ylphenyl)-(3-chloro-5-methylphenyl)methanol
CID 81324135
1-[(3-bromo-4-methoxyphenyl)-chloromethyl]-3-chloro-5-methylbenzene
CID 81325192
(3-bromo-4-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanol
CID 107991347
(3-bromo-4-methoxyphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302503
(4-bromo-2,5-dimethoxyphenyl)-(3-chloro-5-methylphenyl)methanol
CID 105057119

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol (CID 104661029) is (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol is CCOc1ccc(C(O)c2cc(C)cc(Cl)c2)cc1Br.
What is the InChIKey of (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
The InChIKey is KHCOUCSSPUZZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-3-20-15-5-4-11(9-14(15)17)16(19)12-6-10(2)7-13(18)8-12/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol?
(3-bromo-4-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 (3-bromo-4-ethoxyphenyl)-(3-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 104661029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).