[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol

C16H17BrO2 — CID 112621072

IUPAC[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCCc1ccccc1
InChIInChI=1S/C16H17BrO2/c1-12-9-15(17)10-14(11-18)16(12)19-8-7-13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11H2,1H3
InChIKeyWITKUVZTYLYADQ-UHFFFAOYSA-N
MW321.21 g/mol
LogP3.87
Rot. Bonds5

About [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol

[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol (PubChem CID 112621072) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
PubChem CID112621072
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
SMILESCc1cc(Br)cc(CO)c1OCCc1ccccc1
InChIInChI=1S/C16H17BrO2/c1-12-9-15(17)10-14(11-18)16(12)19-8-7-13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11H2,1H3
InChIKeyWITKUVZTYLYADQ-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933
3-[4-bromo-2-(hydroxymethyl)-6-methylphenoxy]propan-1-ol
CID 112620944
(5-bromo-3-methyl-2-propoxyphenyl)methanol
CID 112621128
5-bromo-3-methyl-2-(2-phenylethoxy)benzaldehyde
CID 112620614
1-[5-bromo-3-methyl-2-(3-phenylpropoxy)phenyl]-N-methylmethanamine
CID 115960998
[5-bromo-2-[2-(3-bromophenoxy)ethoxy]-3-methylphenyl]methanol
CID 115962143
[5-bromo-2-[(4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621009
[3-bromo-2-(2-phenylethoxy)phenyl]methanol
CID 61391567
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
2-phenylethyl 2-(4-bromo-2,6-dimethylphenoxy)acetate
CID 4945265
[5-bromo-2-(2-butoxyethoxy)-3-methylphenyl]methanol
CID 112621049
[5-bromo-2-[(4-chlorophenyl)methoxy]-3-methylphenyl]methanol
CID 112621102

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol (CID 112621072) is [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol is Cc1cc(Br)cc(CO)c1OCCc1ccccc1.
What is the InChIKey of [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol?
The InChIKey is WITKUVZTYLYADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-12-9-15(17)10-14(11-18)16(12)19-8-7-13-5-3-2-4-6-13/h2-6,9-10,18H,7-8,11H2,1H3.
What are the key properties of [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol?
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol has a molecular weight of 321.21 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 112621072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).