1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol

C17H15BrO3 — CID 115506132

IUPAC1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
SMILESCOc1ccc2cccc(CC(O)c3occc3Br)c2c1
InChIInChI=1S/C17H15BrO3/c1-20-13-6-5-11-3-2-4-12(14(11)10-13)9-16(19)17-15(18)7-8-21-17/h2-8,10,16,19H,9H2,1H3
InChIKeyRNNHPUOUDGPKFF-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.48
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol

1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol (PubChem CID 115506132) has the molecular formula C17H15BrO3 and a molecular weight of 347.21 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
PubChem CID115506132
Molecular FormulaC17H15BrO3
Molecular Weight347.21 g/mol
Exact Mass346.02
IUPAC Name1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol
SMILESCOc1ccc2cccc(CC(O)c3occc3Br)c2c1
InChIInChI=1S/C17H15BrO3/c1-20-13-6-5-11-3-2-4-12(14(11)10-13)9-16(19)17-15(18)7-8-21-17/h2-8,10,16,19H,9H2,1H3
InChIKeyRNNHPUOUDGPKFF-UHFFFAOYSA-N
XLogP4.48
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromofuran-2-yl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 106886367
2-(7-methoxynaphthalen-1-yl)-1-pyrimidin-5-ylethanol
CID 115506156
1-(7-methoxynaphthalen-1-yl)-6-methylheptan-2-ol
CID 83148133
1-(7-methoxynaphthalen-1-yl)-3-phenylpropan-2-ol
CID 115506158
1-(3-bromofuran-2-yl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 106886215
1-(furan-3-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506225
1-(7-methoxynaphthalen-1-yl)-3-methylbut-3-en-2-amine
CID 115506222
1-(3-bromothiophen-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanamine
CID 115506218
1-(3-bromofuran-2-yl)-2-(3-bromophenyl)ethanol
CID 63942630
1-(7-methoxynaphthalen-1-yl)-3-thiophen-2-ylpropan-2-amine
CID 115506200
2-(2-bromophenyl)-1-(4-methoxy-2-methylphenyl)ethanol
CID 65313400
1-methoxy-3-(7-methoxynaphthalen-1-yl)-N-methylpropan-2-amine
CID 115506270

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol (CID 115506132) is 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol is COc1ccc2cccc(CC(O)c3occc3Br)c2c1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol?
The InChIKey is RNNHPUOUDGPKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrO3/c1-20-13-6-5-11-3-2-4-12(14(11)10-13)9-16(19)17-15(18)7-8-21-17/h2-8,10,16,19H,9H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol?
1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol has a molecular weight of 347.21 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-(7-methoxynaphthalen-1-yl)ethanol is sourced from PubChem (CID 115506132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).