1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol

C15H17BrO3 — CID 105082155

IUPAC1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
SMILESCOc1ccc(CC(O)CCc2ccco2)cc1Br
InChIInChI=1S/C15H17BrO3/c1-18-15-7-4-11(10-14(15)16)9-12(17)5-6-13-3-2-8-19-13/h2-4,7-8,10,12,17H,5-6,9H2,1H3
InChIKeyGJAWWKHWQFNSRB-UHFFFAOYSA-N
MW325.20 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol

1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol (PubChem CID 105082155) has the molecular formula C15H17BrO3 and a molecular weight of 325.20 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
PubChem CID105082155
Molecular FormulaC15H17BrO3
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
SMILESCOc1ccc(CC(O)CCc2ccco2)cc1Br
InChIInChI=1S/C15H17BrO3/c1-18-15-7-4-11(10-14(15)16)9-12(17)5-6-13-3-2-8-19-13/h2-4,7-8,10,12,17H,5-6,9H2,1H3
InChIKeyGJAWWKHWQFNSRB-UHFFFAOYSA-N
XLogP3.59
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-4-(furan-2-yl)butan-2-ol
CID 55149157
1-(3-bromo-4-methoxyphenyl)undecan-2-ol
CID 115779355
1-[(3-bromo-4-methoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1,4-diium
CID 6961721
3-bromo-N-[(2R)-4-(furan-2-yl)butan-2-yl]-4-methoxybenzenesulfonamide
CID 39949050
1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
1-(4-bromothiophen-2-yl)-4-(furan-2-yl)butan-2-ol
CID 105090556
2-bromo-1-methoxy-4-(2-methylpropyl)benzene
CID 115044915
3-[(3-bromo-4-methoxyphenyl)methyl-(furan-2-ylmethyl)amino]propanoic acid
CID 23996130
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
CID 115779394
1-(3-bromo-4-methoxyphenyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82788489
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol (CID 105082155) is 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol is COc1ccc(CC(O)CCc2ccco2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol?
The InChIKey is GJAWWKHWQFNSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO3/c1-18-15-7-4-11(10-14(15)16)9-12(17)5-6-13-3-2-8-19-13/h2-4,7-8,10,12,17H,5-6,9H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol?
1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol has a molecular weight of 325.20 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 105082155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).