1-(3-bromo-5-chlorophenyl)-2-methoxyethanol

C9H10BrClO2 — CID 107947641

IUPAC1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H10BrClO2/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9,12H,5H2,1H3
InChIKeyPBGBWGHRIKJLBB-UHFFFAOYSA-N
MW265.53 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol

1-(3-bromo-5-chlorophenyl)-2-methoxyethanol (PubChem CID 107947641) has the molecular formula C9H10BrClO2 and a molecular weight of 265.53 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
PubChem CID107947641
Molecular FormulaC9H10BrClO2
Molecular Weight265.53 g/mol
Exact Mass263.96
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H10BrClO2/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9,12H,5H2,1H3
InChIKeyPBGBWGHRIKJLBB-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.53
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 107947341
1,2-bis(3-bromo-5-chlorophenyl)ethane-1,2-diol
CID 139745260
1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
(1R)-1-(4-bromophenyl)-2-methoxyethanol
CID 14940709
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(3,5-dibromophenyl)-2-propan-2-yloxyethanol
CID 107978543
(3-bromo-5-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanol
CID 107955776
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
[1-(3-bromo-5-chlorophenyl)-2-propoxyethyl]hydrazine
CID 107948361
(3-bromo-5-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 107955397
(3-bromo-5-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 107955365

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol (CID 107947641) is 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol is COCC(O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol?
The InChIKey is PBGBWGHRIKJLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO2/c1-13-5-9(12)6-2-7(10)4-8(11)3-6/h2-4,9,12H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol?
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol has a molecular weight of 265.53 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chlorophenyl)-2-methoxyethanol is sourced from PubChem (CID 107947641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).