1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol

C15H23BrO3 — CID 116712337

IUPAC1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol
SMILESCCOC(C(C)C)C(O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C15H23BrO3/c1-5-19-15(10(2)3)13(17)9-11-6-7-14(18-4)12(16)8-11/h6-8,10,13,15,17H,5,9H2,1-4H3
InChIKeyCKJKRAADIDCTRV-UHFFFAOYSA-N
MW331.25 g/mol
LogP3.42
Rot. Bonds7

About 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol

1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol (PubChem CID 116712337) has the molecular formula C15H23BrO3 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol
PubChem CID116712337
Molecular FormulaC15H23BrO3
Molecular Weight331.25 g/mol
Exact Mass330.08
IUPAC Name1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol
SMILESCCOC(C(C)C)C(O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C15H23BrO3/c1-5-19-15(10(2)3)13(17)9-11-6-7-14(18-4)12(16)8-11/h6-8,10,13,15,17H,5,9H2,1-4H3
InChIKeyCKJKRAADIDCTRV-UHFFFAOYSA-N
XLogP3.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.25
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-4-methoxyphenyl)-1,1-diethoxypropan-2-ol
CID 79496145
1-(3-bromo-4-methoxyphenyl)-3,4-dimethylpentan-2-ol
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1-(3-bromo-4-methoxyphenyl)-3-ethoxybutan-2-amine
CID 64542009
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CID 115044915
2-[(3-bromo-4-methoxyphenyl)methyl]-3-methylbutan-1-ol
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CID 116725554
3-(3-bromo-4-methoxyphenyl)-2-methylpropanethioamide
CID 83926107
2-bromo-4-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66035628
1-(3-bromo-4-methoxyphenyl)heptane-3,4-diol
CID 83926163
1-(3-bromo-4-methoxyphenyl)undecan-2-ol
CID 115779355
1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
1-(3-bromo-4-methoxyphenyl)-3-propan-2-yloxypropan-2-amine
CID 105110880

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol (CID 116712337) is 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol is CCOC(C(C)C)C(O)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol?
The InChIKey is CKJKRAADIDCTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO3/c1-5-19-15(10(2)3)13(17)9-11-6-7-14(18-4)12(16)8-11/h6-8,10,13,15,17H,5,9H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol?
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol has a molecular weight of 331.25 g/mol, XLogP of 3.42, 7 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)-3-ethoxy-4-methylpentan-2-ol is sourced from PubChem (CID 116712337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).