1-(2-bromo-4-methoxyphenyl)octan-1-ol

C15H23BrO2 — CID 55199625

IUPAC1-(2-bromo-4-methoxyphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(OC)cc1Br
InChIInChI=1S/C15H23BrO2/c1-3-4-5-6-7-8-15(17)13-10-9-12(18-2)11-14(13)16/h9-11,15,17H,3-8H2,1-2H3
InChIKeyLPTOXTUNFGCZMI-UHFFFAOYSA-N
MW315.25 g/mol
LogP4.85
Rot. Bonds8

About 1-(2-bromo-4-methoxyphenyl)octan-1-ol

1-(2-bromo-4-methoxyphenyl)octan-1-ol (PubChem CID 55199625) has the molecular formula C15H23BrO2 and a molecular weight of 315.25 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxyphenyl)octan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4-methoxyphenyl)octan-1-ol
PubChem CID55199625
Molecular FormulaC15H23BrO2
Molecular Weight315.25 g/mol
Exact Mass314.09
IUPAC Name1-(2-bromo-4-methoxyphenyl)octan-1-ol
SMILESCCCCCCCC(O)c1ccc(OC)cc1Br
InChIInChI=1S/C15H23BrO2/c1-3-4-5-6-7-8-15(17)13-10-9-12(18-2)11-14(13)16/h9-11,15,17H,3-8H2,1-2H3
InChIKeyLPTOXTUNFGCZMI-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.25
LogP ≤ 54.85
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

1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(4-methoxy-2-methylphenyl)octan-1-ol
CID 61101302
2-bromo-1-(1-bromononyl)-4-methoxybenzene
CID 65426591
1-(2-chloro-4-methoxyphenyl)decan-1-ol
CID 65427527
1-(2-bromo-4-fluorophenyl)hexan-1-ol
CID 115784379
1-(2-bromo-5-methoxyphenyl)-N-methyldecan-1-amine
CID 105124484
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
3-(2-bromo-4-methoxyphenyl)-3-hydroxypropanenitrile
CID 130534305
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
1-(2-fluoro-4-methoxyphenyl)heptan-1-amine
CID 81305340

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxyphenyl)octan-1-ol?
The IUPAC name of 1-(2-bromo-4-methoxyphenyl)octan-1-ol (CID 55199625) is 1-(2-bromo-4-methoxyphenyl)octan-1-ol.
What is the SMILES notation for 1-(2-bromo-4-methoxyphenyl)octan-1-ol?
The canonical SMILES for 1-(2-bromo-4-methoxyphenyl)octan-1-ol is CCCCCCCC(O)c1ccc(OC)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methoxyphenyl)octan-1-ol?
The InChIKey is LPTOXTUNFGCZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrO2/c1-3-4-5-6-7-8-15(17)13-10-9-12(18-2)11-14(13)16/h9-11,15,17H,3-8H2,1-2H3.
What are the key properties of 1-(2-bromo-4-methoxyphenyl)octan-1-ol?
1-(2-bromo-4-methoxyphenyl)octan-1-ol has a molecular weight of 315.25 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxyphenyl)octan-1-ol is sourced from PubChem (CID 55199625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).