3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol

C17H17BrO3 — CID 141145493

IUPAC3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESOCC=Cc1ccc(OCc2ccc(Br)cc2)c(CO)c1
InChIInChI=1S/C17H17BrO3/c18-16-6-3-14(4-7-16)12-21-17-8-5-13(2-1-9-19)10-15(17)11-20/h1-8,10,19-20H,9,11-12H2
InChIKeyOUIUVEUUDALUFI-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.53
Rot. Bonds6

About 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol

3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol (PubChem CID 141145493) has the molecular formula C17H17BrO3 and a molecular weight of 349.22 g/mol. Its IUPAC name is 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol
PubChem CID141145493
Molecular FormulaC17H17BrO3
Molecular Weight349.22 g/mol
Exact Mass348.04
IUPAC Name3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol
SMILESOCC=Cc1ccc(OCc2ccc(Br)cc2)c(CO)c1
InChIInChI=1S/C17H17BrO3/c18-16-6-3-14(4-7-16)12-21-17-8-5-13(2-1-9-19)10-15(17)11-20/h1-8,10,19-20H,9,11-12H2
InChIKeyOUIUVEUUDALUFI-UHFFFAOYSA-N
XLogP3.53
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
3-[4-[(3,4-dichlorophenyl)methoxy]-3-prop-2-enylphenyl]prop-2-en-1-ol
CID 75081705
[5-bromo-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 78993100
4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]benzonitrile
CID 2440173
3-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997982
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
ethyl 3-[4-[(4-ethoxyphenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-enoate
CID 141145499
(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoyl chloride
CID 91684850
[5-bromo-2-[(3-bromo-5-fluorophenyl)methoxy]phenyl]methanol
CID 79705698
(E)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-ol
CID 11775336

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol (CID 141145493) is 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol is OCC=Cc1ccc(OCc2ccc(Br)cc2)c(CO)c1.
What is the InChIKey of 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
The InChIKey is OUIUVEUUDALUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO3/c18-16-6-3-14(4-7-16)12-21-17-8-5-13(2-1-9-19)10-15(17)11-20/h1-8,10,19-20H,9,11-12H2.
What are the key properties of 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol?
3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol has a molecular weight of 349.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(4-bromophenyl)methoxy]-3-(hydroxymethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 141145493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).