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

C15H15BrO2 — CID 61391567

IUPAC[3-bromo-2-(2-phenylethoxy)phenyl]methanol
SMILESOCc1cccc(Br)c1OCCc1ccccc1
InChIInChI=1S/C15H15BrO2/c16-14-8-4-7-13(11-17)15(14)18-10-9-12-5-2-1-3-6-12/h1-8,17H,9-11H2
InChIKeyGRZOHXQSGUIYOM-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.56
Rot. Bonds5

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

[3-bromo-2-(2-phenylethoxy)phenyl]methanol (PubChem CID 61391567) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [3-bromo-2-(2-phenylethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-bromo-2-(2-phenylethoxy)phenyl]methanol
PubChem CID61391567
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[3-bromo-2-(2-phenylethoxy)phenyl]methanol
SMILESOCc1cccc(Br)c1OCCc1ccccc1
InChIInChI=1S/C15H15BrO2/c16-14-8-4-7-13(11-17)15(14)18-10-9-12-5-2-1-3-6-12/h1-8,17H,9-11H2
InChIKeyGRZOHXQSGUIYOM-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-bromo-2-[2-(4-nitrophenyl)ethoxy]phenyl]methanol
CID 61391744
[3,5-dibromo-4-(2-phenylethoxy)phenyl]methanol
CID 107739120
[5-bromo-3-methyl-2-(2-phenylethoxy)phenyl]methanol
CID 112621072
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
(3-bromo-2-phenylmethoxyphenyl)methanamine;hydrochloride
CID 91799383
[3-bromo-4-(2-phenylethoxy)phenyl]methanol
CID 63050620
5-[2-(aminomethyl)-6-bromophenoxy]pentan-1-ol
CID 62228230
[3,5-dimethoxy-4-(2-phenylethoxy)phenyl]methanol
CID 43516716
[3-bromo-2-(3-phenoxypropoxy)phenyl]methanamine
CID 62936766
[3-bromo-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 61391527
[3-bromo-2-[(4-tert-butylphenyl)methoxy]phenyl]methanol
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[3-bromo-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65162888

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(2-phenylethoxy)phenyl]methanol?
The IUPAC name of [3-bromo-2-(2-phenylethoxy)phenyl]methanol (CID 61391567) is [3-bromo-2-(2-phenylethoxy)phenyl]methanol.
What is the SMILES notation for [3-bromo-2-(2-phenylethoxy)phenyl]methanol?
The canonical SMILES for [3-bromo-2-(2-phenylethoxy)phenyl]methanol is OCc1cccc(Br)c1OCCc1ccccc1.
What is the InChIKey of [3-bromo-2-(2-phenylethoxy)phenyl]methanol?
The InChIKey is GRZOHXQSGUIYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c16-14-8-4-7-13(11-17)15(14)18-10-9-12-5-2-1-3-6-12/h1-8,17H,9-11H2.
What are the key properties of [3-bromo-2-(2-phenylethoxy)phenyl]methanol?
[3-bromo-2-(2-phenylethoxy)phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(2-phenylethoxy)phenyl]methanol is sourced from PubChem (CID 61391567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).