[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol

C10H10BrClO2 — CID 28981464

IUPAC[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol
SMILESC=C(Cl)COc1ccc(Br)cc1CO
InChIInChI=1S/C10H10BrClO2/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13/h2-4,13H,1,5-6H2
InChIKeyBXEVIQWRPFWBGB-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.07
Rot. Bonds4

About [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol

[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol (PubChem CID 28981464) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol
PubChem CID28981464
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol
SMILESC=C(Cl)COc1ccc(Br)cc1CO
InChIInChI=1S/C10H10BrClO2/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13/h2-4,13H,1,5-6H2
InChIKeyBXEVIQWRPFWBGB-UHFFFAOYSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
CID 894151
5-bromo-2-(2-chloroprop-2-enoxy)benzonitrile
CID 80602742
[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
(1R)-1-[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63367642
[4-[[4-bromo-2-(hydroxymethyl)phenoxy]methyl]phenyl]methanol
CID 112630832
1-[4-bromo-2-(2-chloroprop-2-enoxy)phenyl]ethanol
CID 102948397
3-[4-bromo-2-(hydroxymethyl)phenoxy]propanamide
CID 43152589
(5-bromo-2-octoxyphenyl)methanol
CID 3459846
1-(4-bromo-2-ethylphenoxy)propan-2-one
CID 58963157
methyl 3-[4-bromo-2-(hydroxymethyl)phenoxy]-2,2-dimethylpropanoate
CID 79624738
[5-bromo-2-[(4-iodophenyl)methoxy]phenyl]methanol
CID 65479250
2-[4-bromo-2-(hydroxymethyl)phenoxy]-N-butan-2-ylacetamide
CID 43083056

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol?
The IUPAC name of [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol (CID 28981464) is [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol.
What is the SMILES notation for [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol?
The canonical SMILES for [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol is C=C(Cl)COc1ccc(Br)cc1CO.
What is the InChIKey of [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol?
The InChIKey is BXEVIQWRPFWBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13/h2-4,13H,1,5-6H2.
What are the key properties of [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol?
[5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol has a molecular weight of 277.55 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(2-chloroprop-2-enoxy)phenyl]methanol is sourced from PubChem (CID 28981464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).