1-(4-bromophenyl)-5-methoxypentan-2-ol

C12H17BrO2 — CID 62608729

IUPAC1-(4-bromophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrO2/c1-15-8-2-3-12(14)9-10-4-6-11(13)7-5-10/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyPYARJKAGYQDIIT-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.78
Rot. Bonds6

About 1-(4-bromophenyl)-5-methoxypentan-2-ol

1-(4-bromophenyl)-5-methoxypentan-2-ol (PubChem CID 62608729) has the molecular formula C12H17BrO2 and a molecular weight of 273.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methoxypentan-2-ol.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methoxypentan-2-ol
PubChem CID62608729
Molecular FormulaC12H17BrO2
Molecular Weight273.17 g/mol
Exact Mass272.04
IUPAC Name1-(4-bromophenyl)-5-methoxypentan-2-ol
SMILESCOCCCC(O)Cc1ccc(Br)cc1
InChIInChI=1S/C12H17BrO2/c1-15-8-2-3-12(14)9-10-4-6-11(13)7-5-10/h4-7,12,14H,2-3,8-9H2,1H3
InChIKeyPYARJKAGYQDIIT-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-4-fluorophenyl)-5-methoxypentan-2-ol
CID 65092433
1-(4-bromo-2-fluorophenyl)-5-methoxypentan-2-ol
CID 65092198
1-(4-bromophenyl)-8-methylnon-7-en-2-ol
CID 72713229
1-(4-bromophenyl)-4-(4-methoxyphenyl)butan-2-ol
CID 63015995
2-[(4-bromophenyl)methyl]-6-methoxyhexanoic acid
CID 104648514
1-(3,5-difluorophenyl)-5-methoxypentan-2-ol
CID 115601584
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
1-(4-bromophenyl)-4-(dimethylamino)butan-2-ol
CID 115346011
1-(3-chlorophenyl)-5-methoxypentan-2-ol
CID 62608166
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butanoic acid
CID 103181430
1-(4-iodophenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927712
1-(4-bromophenyl)-4-methoxy-N-methylbutan-2-amine
CID 61064259

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methoxypentan-2-ol?
The IUPAC name of 1-(4-bromophenyl)-5-methoxypentan-2-ol (CID 62608729) is 1-(4-bromophenyl)-5-methoxypentan-2-ol.
What is the SMILES notation for 1-(4-bromophenyl)-5-methoxypentan-2-ol?
The canonical SMILES for 1-(4-bromophenyl)-5-methoxypentan-2-ol is COCCCC(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methoxypentan-2-ol?
The InChIKey is PYARJKAGYQDIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrO2/c1-15-8-2-3-12(14)9-10-4-6-11(13)7-5-10/h4-7,12,14H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-bromophenyl)-5-methoxypentan-2-ol?
1-(4-bromophenyl)-5-methoxypentan-2-ol has a molecular weight of 273.17 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methoxypentan-2-ol is sourced from PubChem (CID 62608729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).