[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol

C16H17BrO3 — CID 43174104

IUPAC[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
SMILESCCCOc1ccc(Oc2cc(Br)ccc2CO)cc1
InChIInChI=1S/C16H17BrO3/c1-2-9-19-14-5-7-15(8-6-14)20-16-10-13(17)4-3-12(16)11-18/h3-8,10,18H,2,9,11H2,1H3
InChIKeyBATNQPODWZAMHK-UHFFFAOYSA-N
MW337.21 g/mol
LogP4.52
Rot. Bonds6

About [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol

[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol (PubChem CID 43174104) has the molecular formula C16H17BrO3 and a molecular weight of 337.21 g/mol. Its IUPAC name is [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
PubChem CID43174104
Molecular FormulaC16H17BrO3
Molecular Weight337.21 g/mol
Exact Mass336.04
IUPAC Name[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
SMILESCCCOc1ccc(Oc2cc(Br)ccc2CO)cc1
InChIInChI=1S/C16H17BrO3/c1-2-9-19-14-5-7-15(8-6-14)20-16-10-13(17)4-3-12(16)11-18/h3-8,10,18H,2,9,11H2,1H3
InChIKeyBATNQPODWZAMHK-UHFFFAOYSA-N
XLogP4.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-fluoro-2-(4-propoxyphenoxy)phenyl]methanol
CID 43313473
[4-bromo-2-(3-bromo-4-fluorophenoxy)phenyl]methanol
CID 83234633
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
CID 63539756
[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
4-bromo-2-nitro-1-(4-propoxyphenoxy)benzene
CID 63462706
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
[4-[5-bromo-2-[(propan-2-ylamino)methyl]phenoxy]phenyl]methanol
CID 61229341
(2,4-dipentoxyphenyl)methanol
CID 54794877
4-bromo-1-(chloromethyl)-2-(4-chlorophenoxy)benzene
CID 43174130
[4-bromo-2-(4-ethylphenoxy)phenyl]methanamine
CID 43364972
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
1-(chloromethyl)-2-(4-propoxyphenoxy)benzene
CID 28971293

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol?
The IUPAC name of [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol (CID 43174104) is [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol.
What is the SMILES notation for [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol?
The canonical SMILES for [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol is CCCOc1ccc(Oc2cc(Br)ccc2CO)cc1.
What is the InChIKey of [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol?
The InChIKey is BATNQPODWZAMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO3/c1-2-9-19-14-5-7-15(8-6-14)20-16-10-13(17)4-3-12(16)11-18/h3-8,10,18H,2,9,11H2,1H3.
What are the key properties of [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol?
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol has a molecular weight of 337.21 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(4-propoxyphenoxy)phenyl]methanol is sourced from PubChem (CID 43174104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).