2-(3-bromophenyl)-1-methoxypropan-2-ol

C10H13BrO2 — CID 79566424

IUPAC2-(3-bromophenyl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1cccc(Br)c1
InChIInChI=1S/C10H13BrO2/c1-10(12,7-13-2)8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3
InChIKeyBGDWKJBGCNTDRM-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.30
Rot. Bonds3

About 2-(3-bromophenyl)-1-methoxypropan-2-ol

2-(3-bromophenyl)-1-methoxypropan-2-ol (PubChem CID 79566424) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-methoxypropan-2-ol.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-methoxypropan-2-ol
PubChem CID79566424
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-(3-bromophenyl)-1-methoxypropan-2-ol
SMILESCOCC(C)(O)c1cccc(Br)c1
InChIInChI=1S/C10H13BrO2/c1-10(12,7-13-2)8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3
InChIKeyBGDWKJBGCNTDRM-UHFFFAOYSA-N
XLogP2.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-methoxy-2-(methoxymethyl)propanoic acid
CID 167505619
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383
2-(3-bromophenyl)-1-(ethylamino)propan-2-ol
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2-(4-tert-butylphenyl)-1-methoxypropan-2-ol
CID 62550666
2-(3-bromophenyl)propan-2-ol;ethanol
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1-(2-bromo-5-methoxyphenyl)-2-(3-bromophenyl)propan-2-ol
CID 65327501
2-(3-bromophenyl)hept-5-yn-2-ol
CID 104809276
2-(3-bromophenyl)nonan-2-ol
CID 65144812
3-(3-bromophenyl)pentan-3-ol
CID 57443482
ethyl 4-(3-bromophenyl)-4-hydroxypentanoate
CID 66324035
O-[2-(3-bromophenyl)-2-methylpropyl]hydroxylamine
CID 83693076
2-(4-bromo-2-chlorophenyl)-1-methoxypropan-2-ol
CID 82779920

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-methoxypropan-2-ol?
The IUPAC name of 2-(3-bromophenyl)-1-methoxypropan-2-ol (CID 79566424) is 2-(3-bromophenyl)-1-methoxypropan-2-ol.
What is the SMILES notation for 2-(3-bromophenyl)-1-methoxypropan-2-ol?
The canonical SMILES for 2-(3-bromophenyl)-1-methoxypropan-2-ol is COCC(C)(O)c1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-methoxypropan-2-ol?
The InChIKey is BGDWKJBGCNTDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-10(12,7-13-2)8-4-3-5-9(11)6-8/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-methoxypropan-2-ol?
2-(3-bromophenyl)-1-methoxypropan-2-ol has a molecular weight of 245.12 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-methoxypropan-2-ol is sourced from PubChem (CID 79566424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).