(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol

C16H16BrClO2 — CID 82890859

IUPAC(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C16H16BrClO2/c1-3-20-12-6-7-13(15(17)9-12)16(19)14-8-11(18)5-4-10(14)2/h4-9,16,19H,3H2,1-2H3
InChIKeyUTFHGHZHTQFXPT-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.89
Rot. Bonds4

About (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol

(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol (PubChem CID 82890859) has the molecular formula C16H16BrClO2 and a molecular weight of 355.66 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
PubChem CID82890859
Molecular FormulaC16H16BrClO2
Molecular Weight355.66 g/mol
Exact Mass354.00
IUPAC Name(2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol
SMILESCCOc1ccc(C(O)c2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C16H16BrClO2/c1-3-20-12-6-7-13(15(17)9-12)16(19)14-8-11(18)5-4-10(14)2/h4-9,16,19H,3H2,1-2H3
InChIKeyUTFHGHZHTQFXPT-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

1-(2-bromo-4-chlorophenyl)-1-(2-bromo-4-ethoxyphenyl)-N-methylmethanamine
CID 107987565
(2-bromo-4-chlorophenyl)-(5-bromo-2-ethoxyphenyl)methanol
CID 107991194
(2-bromo-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 63048959
(2-bromo-4-chlorophenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 107991315
2-[bromo-(2-bromo-4-ethoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799347
(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808837
(3-bromo-4-methylphenyl)-(4-ethoxyphenyl)methanol
CID 81476153
(2-bromo-4-chlorophenyl)-(2,4-difluoro-5-methylphenyl)methanol
CID 107991288
2-bromo-1-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983600
1-bromo-3-[(2-bromo-4-ethoxyphenyl)-chloromethyl]-5-chlorobenzene
CID 107959022
2-bromo-1-[bromo-(3-chloro-4-fluorophenyl)methyl]-4-ethoxybenzene
CID 82879565
(5-chloro-2-fluorophenyl)-(4-methoxy-2-methylphenyl)methanol
CID 61101123

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol (CID 82890859) is (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol is CCOc1ccc(C(O)c2cc(Cl)ccc2C)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol?
The InChIKey is UTFHGHZHTQFXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO2/c1-3-20-12-6-7-13(15(17)9-12)16(19)14-8-11(18)5-4-10(14)2/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol?
(2-bromo-4-ethoxyphenyl)-(5-chloro-2-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 (2-bromo-4-ethoxyphenyl)-(5-chloro-2-methylphenyl)methanol is sourced from PubChem (CID 82890859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).