(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol

C16H17BrO2 — CID 65432012

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccccc1C
InChIInChI=1S/C16H17BrO2/c1-10-6-4-5-7-12(10)16(18)13-9-14(17)11(2)8-15(13)19-3/h4-9,16,18H,1-3H3
InChIKeyBNJJSEGOERFUSA-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.16
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol

(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol (PubChem CID 65432012) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
PubChem CID65432012
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
SMILESCOc1cc(C)c(Br)cc1C(O)c1ccccc1C
InChIInChI=1S/C16H17BrO2/c1-10-6-4-5-7-12(10)16(18)13-9-14(17)11(2)8-15(13)19-3/h4-9,16,18H,1-3H3
InChIKeyBNJJSEGOERFUSA-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
(4-bromo-2,5-dimethoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983413
(5-bromo-4-fluoro-2-methoxyphenyl)-(2-bromo-3-methylphenyl)methanol
CID 107983417
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
(5-bromo-2-methoxy-4-methylphenyl)-(4-methylsulfanylphenyl)methanol
CID 79217222
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
CID 65433362

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol (CID 65432012) is (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol is COc1cc(C)c(Br)cc1C(O)c1ccccc1C.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol?
The InChIKey is BNJJSEGOERFUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-10-6-4-5-7-12(10)16(18)13-9-14(17)11(2)8-15(13)19-3/h4-9,16,18H,1-3H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol?
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol has a molecular weight of 321.21 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol is sourced from PubChem (CID 65432012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).