1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol

C16H25BrO3 — CID 105057112

IUPAC1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C16H25BrO3/c1-5-7-8-11(6-2)16(18)12-9-15(20-4)13(17)10-14(12)19-3/h9-11,16,18H,5-8H2,1-4H3
InChIKeySNHIQEIFMFQHAI-UHFFFAOYSA-N
MW345.28 g/mol
LogP4.72
Rot. Bonds8

About 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol

1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol (PubChem CID 105057112) has the molecular formula C16H25BrO3 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
PubChem CID105057112
Molecular FormulaC16H25BrO3
Molecular Weight345.28 g/mol
Exact Mass344.10
IUPAC Name1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1cc(OC)c(Br)cc1OC
InChIInChI=1S/C16H25BrO3/c1-5-7-8-11(6-2)16(18)12-9-15(20-4)13(17)10-14(12)19-3/h9-11,16,18H,5-8H2,1-4H3
InChIKeySNHIQEIFMFQHAI-UHFFFAOYSA-N
XLogP4.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-4-(1-chloro-2-methylhexyl)-2,5-dimethoxybenzene
CID 114246943
1-bromo-4-(1-bromo-2-ethylbutyl)-2,5-dimethoxybenzene
CID 105057365
1-bromo-4-(1-chlorohexyl)-2,5-dimethoxybenzene
CID 105057265
2-ethyl-1-(2-fluoro-3-methoxyphenyl)hexan-1-ol
CID 115828563
2-amino-1-(4-bromo-2,5-dimethoxyphenyl)propan-1-ol
CID 58644855
(1S,2R)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171271146
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethoxyphenyl)pentan-2-ol;hydrochloride
CID 171265473
2-ethyl-1-(2-methoxy-4,6-dimethylphenyl)hexan-1-ol
CID 106682520
1-(4-bromo-2,5-dimethoxyphenyl)-N-methyl-2-propylpentan-1-amine
CID 105056755
1-(4-bromo-2,5-dimethoxyphenyl)-N-propylhexan-1-amine
CID 105056855
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol?
The IUPAC name of 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol (CID 105057112) is 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol is CCCCC(CC)C(O)c1cc(OC)c(Br)cc1OC.
What is the InChIKey of 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol?
The InChIKey is SNHIQEIFMFQHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrO3/c1-5-7-8-11(6-2)16(18)12-9-15(20-4)13(17)10-14(12)19-3/h9-11,16,18H,5-8H2,1-4H3.
What are the key properties of 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol?
1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol has a molecular weight of 345.28 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-dimethoxyphenyl)-2-ethylhexan-1-ol is sourced from PubChem (CID 105057112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).