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

C18H29BrO2 — CID 115779222

IUPAC1-(5-bromo-2-methoxyphenyl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1cc(Br)ccc1OC
InChIInChI=1S/C18H29BrO2/c1-3-4-5-6-7-8-9-10-17(20)14-15-13-16(19)11-12-18(15)21-2/h11-13,17,20H,3-10,14H2,1-2H3
InChIKeyDWAUIASSWDCKGR-UHFFFAOYSA-N
MW357.33 g/mol
LogP5.50
Rot. Bonds11

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

1-(5-bromo-2-methoxyphenyl)undecan-2-ol (PubChem CID 115779222) has the molecular formula C18H29BrO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)undecan-2-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)undecan-2-ol
PubChem CID115779222
Molecular FormulaC18H29BrO2
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name1-(5-bromo-2-methoxyphenyl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1cc(Br)ccc1OC
InChIInChI=1S/C18H29BrO2/c1-3-4-5-6-7-8-9-10-17(20)14-15-13-16(19)11-12-18(15)21-2/h11-13,17,20H,3-10,14H2,1-2H3
InChIKeyDWAUIASSWDCKGR-UHFFFAOYSA-N
XLogP5.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.33
LogP ≤ 55.50
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-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(5-bromo-2-methoxyphenyl)-4-(dimethylamino)butan-2-ol
CID 113291156
1-(3-bromo-4-methoxyphenyl)undecan-2-ol
CID 115779355
1-(5-bromo-2-methoxyphenyl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927579
1-(2-methoxyphenyl)hexan-2-ol
CID 62607835
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(5-bromo-2-methoxyphenyl)-4-cyclopentylbutan-2-ol
CID 115779341
N-[(5-bromo-2-methoxyphenyl)methyl]heptan-2-amine
CID 43398788
1-(5-bromo-2-methoxyphenyl)decan-2-one
CID 114964534
2-(5-bromo-2-methoxyphenyl)-1-(2,4-dibromophenyl)ethanol
CID 107947314
1-(4-bromo-2-methoxyphenyl)pentan-1-ol
CID 115783251
1-(2-bromo-5-fluorophenyl)nonan-2-ol
CID 65149021

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)undecan-2-ol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)undecan-2-ol (CID 115779222) is 1-(5-bromo-2-methoxyphenyl)undecan-2-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)undecan-2-ol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)undecan-2-ol is CCCCCCCCCC(O)Cc1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)undecan-2-ol?
The InChIKey is DWAUIASSWDCKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrO2/c1-3-4-5-6-7-8-9-10-17(20)14-15-13-16(19)11-12-18(15)21-2/h11-13,17,20H,3-10,14H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)undecan-2-ol?
1-(5-bromo-2-methoxyphenyl)undecan-2-ol has a molecular weight of 357.33 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)undecan-2-ol is sourced from PubChem (CID 115779222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).