(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

C16H17BrO2 — CID 106679553

IUPAC(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrO2/c1-10-7-11(2)15(14(8-10)19-3)16(18)12-5-4-6-13(17)9-12/h4-9,16,18H,1-3H3
InChIKeyKSDWHNPVGQDWPK-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.16
Rot. Bonds3

About (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol

(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (PubChem CID 106679553) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
PubChem CID106679553
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
SMILESCOc1cc(C)cc(C)c1C(O)c1cccc(Br)c1
InChIInChI=1S/C16H17BrO2/c1-10-7-11(2)15(14(8-10)19-3)16(18)12-5-4-6-13(17)9-12/h4-9,16,18H,1-3H3
InChIKeyKSDWHNPVGQDWPK-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

(3-bromo-4-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679797
(5-bromo-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679531
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
(4-bromothiophen-2-yl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680190
(2-fluoro-6-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106680256
(S)-(3-bromophenyl)-(4-methoxyphenyl)methanol
CID 93325981
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
2-methoxy-1-(2-methoxy-4,6-dimethylphenyl)-2-phenylethanol
CID 106680320
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(3-fluoro-4-methoxyphenyl)-(2,4,6-trimethylphenyl)methanol
CID 61081867
2,3-dihydro-1H-indol-7-yl-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679754

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The IUPAC name of (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol (CID 106679553) is (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The canonical SMILES for (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is COc1cc(C)cc(C)c1C(O)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
The InChIKey is KSDWHNPVGQDWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-10-7-11(2)15(14(8-10)19-3)16(18)12-5-4-6-13(17)9-12/h4-9,16,18H,1-3H3.
What are the key properties of (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol?
(3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)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 (3-bromophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol is sourced from PubChem (CID 106679553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).