[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol

C15H15BrO3 — CID 60627615

IUPAC[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
SMILESOCc1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H15BrO3/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10,17H,8-9,11H2
InChIKeyGTUWBDNIVFCNQW-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.40
Rot. Bonds6

About [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol

[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol (PubChem CID 60627615) has the molecular formula C15H15BrO3 and a molecular weight of 323.19 g/mol. Its IUPAC name is [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol.

Molecular Properties

Compound Name[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
PubChem CID60627615
Molecular FormulaC15H15BrO3
Molecular Weight323.19 g/mol
Exact Mass322.02
IUPAC Name[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol
SMILESOCc1ccc(OCCOc2cccc(Br)c2)cc1
InChIInChI=1S/C15H15BrO3/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10,17H,8-9,11H2
InChIKeyGTUWBDNIVFCNQW-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanamine
CID 43531130
1-bromo-3-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 55327692
3-[2-(3-bromophenoxy)ethoxy]phenol
CID 39445112
4-[2-(3-bromophenoxy)ethoxy]benzamide
CID 26217003
1-bromo-3-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene
CID 2899232
[4-[2-(3-bromophenoxy)ethoxy]phenyl]-phenylmethanone
CID 7717731
4-[2-(3-bromophenoxy)ethoxy]-1,2-dichlorobenzene
CID 60626996
1-bromo-3-[2-[3-(chloromethyl)phenoxy]ethoxy]benzene
CID 55224568
6-[2-(3-bromophenoxy)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 63457392
(1R)-1-[4-[2-(3-bromophenoxy)ethoxy]phenyl]propan-1-ol
CID 63365689
[6-(3-bromophenoxy)-3-pyridinyl]methanol
CID 61255243
2-(3-bromophenoxy)ethyl 5-methylfuran-2-carboxylate
CID 55323496

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol?
The IUPAC name of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol (CID 60627615) is [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol.
What is the SMILES notation for [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol?
The canonical SMILES for [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol is OCc1ccc(OCCOc2cccc(Br)c2)cc1.
What is the InChIKey of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol?
The InChIKey is GTUWBDNIVFCNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO3/c16-13-2-1-3-15(10-13)19-9-8-18-14-6-4-12(11-17)5-7-14/h1-7,10,17H,8-9,11H2.
What are the key properties of [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol?
[4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol has a molecular weight of 323.19 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3-bromophenoxy)ethoxy]phenyl]methanol is sourced from PubChem (CID 60627615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).