1-(2-bromo-5-methoxyphenyl)nonan-1-ol

C16H25BrO2 — CID 105085691

IUPAC1-(2-bromo-5-methoxyphenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H25BrO2/c1-3-4-5-6-7-8-9-16(18)14-12-13(19-2)10-11-15(14)17/h10-12,16,18H,3-9H2,1-2H3
InChIKeyXCYAMIFSJHKRBA-UHFFFAOYSA-N
MW329.28 g/mol
LogP5.24
Rot. Bonds9

About 1-(2-bromo-5-methoxyphenyl)nonan-1-ol

1-(2-bromo-5-methoxyphenyl)nonan-1-ol (PubChem CID 105085691) has the molecular formula C16H25BrO2 and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)nonan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)nonan-1-ol
PubChem CID105085691
Molecular FormulaC16H25BrO2
Molecular Weight329.28 g/mol
Exact Mass328.10
IUPAC Name1-(2-bromo-5-methoxyphenyl)nonan-1-ol
SMILESCCCCCCCCC(O)c1cc(OC)ccc1Br
InChIInChI=1S/C16H25BrO2/c1-3-4-5-6-7-8-9-16(18)14-12-13(19-2)10-11-15(14)17/h10-12,16,18H,3-9H2,1-2H3
InChIKeyXCYAMIFSJHKRBA-UHFFFAOYSA-N
XLogP5.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 55.24
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

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(1S)-1-(2-bromo-5-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171224414
2-bromo-1-(1-bromononyl)-4-methoxybenzene
CID 65426591
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084143
(1S)-1-(4-methoxyphenyl)hexan-1-ol
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CID 105104739

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)nonan-1-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)nonan-1-ol (CID 105085691) is 1-(2-bromo-5-methoxyphenyl)nonan-1-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)nonan-1-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)nonan-1-ol is CCCCCCCCC(O)c1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)nonan-1-ol?
The InChIKey is XCYAMIFSJHKRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrO2/c1-3-4-5-6-7-8-9-16(18)14-12-13(19-2)10-11-15(14)17/h10-12,16,18H,3-9H2,1-2H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)nonan-1-ol?
1-(2-bromo-5-methoxyphenyl)nonan-1-ol has a molecular weight of 329.28 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)nonan-1-ol is sourced from PubChem (CID 105085691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).