1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol

C10H12BrClO2 — CID 116863652

IUPAC1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
SMILESCOc1ccc(Br)cc1C(O)C(C)Cl
InChIInChI=1S/C10H12BrClO2/c1-6(12)10(13)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,1-2H3
InChIKeyHTYXJWQFBYFSGY-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.12
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol

1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol (PubChem CID 116863652) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
PubChem CID116863652
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol
SMILESCOc1ccc(Br)cc1C(O)C(C)Cl
InChIInChI=1S/C10H12BrClO2/c1-6(12)10(13)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,1-2H3
InChIKeyHTYXJWQFBYFSGY-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2,2-dichloroethanol
CID 164892127
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CID 79129107
1-(5-bromo-2-methoxyphenyl)-2-methylbutan-1-ol
CID 61101002
N-[1-(5-bromo-2-methoxyphenyl)ethyl]hydroxylamine
CID 130061479
(5-bromo-2-methoxyphenyl)-(methylamino)methanol
CID 116954641
1-(5-bromo-2-methoxyphenyl)-1-chloro-N-methylmethanamine
CID 116962060
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
methyl (2S)-2-(5-bromo-2-methoxyphenyl)-2-chloroacetate
CID 94376628
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754
1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
2-(aminomethyl)-1-(5-bromo-2-methoxyphenyl)pentan-1-ol
CID 79415351
1-(5-bromo-2-methoxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 63832427

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol (CID 116863652) is 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol is COc1ccc(Br)cc1C(O)C(C)Cl.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol?
The InChIKey is HTYXJWQFBYFSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-6(12)10(13)8-5-7(11)3-4-9(8)14-2/h3-6,10,13H,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol?
1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol has a molecular weight of 279.56 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-chloropropan-1-ol is sourced from PubChem (CID 116863652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).