1-(3-bromo-4-methoxyphenyl)undecan-2-ol

C18H29BrO2 — CID 115779355

IUPAC1-(3-bromo-4-methoxyphenyl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C18H29BrO2/c1-3-4-5-6-7-8-9-10-16(20)13-15-11-12-18(21-2)17(19)14-15/h11-12,14,16,20H,3-10,13H2,1-2H3
InChIKeyZXIICQBKMZLCHH-UHFFFAOYSA-N
MW357.33 g/mol
LogP5.50
Rot. Bonds11

About 1-(3-bromo-4-methoxyphenyl)undecan-2-ol

1-(3-bromo-4-methoxyphenyl)undecan-2-ol (PubChem CID 115779355) has the molecular formula C18H29BrO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)undecan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)undecan-2-ol
PubChem CID115779355
Molecular FormulaC18H29BrO2
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name1-(3-bromo-4-methoxyphenyl)undecan-2-ol
SMILESCCCCCCCCCC(O)Cc1ccc(OC)c(Br)c1
InChIInChI=1S/C18H29BrO2/c1-3-4-5-6-7-8-9-10-16(20)13-15-11-12-18(21-2)17(19)14-15/h11-12,14,16,20H,3-10,13H2,1-2H3
InChIKeyZXIICQBKMZLCHH-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-(3-bromo-4-methoxyphenyl)nonan-2-amine
CID 115818004
1-(5-bromo-2-methoxyphenyl)undecan-2-ol
CID 115779222
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
N-[(3-bromo-4-methoxyphenyl)methyl]octan-2-amine
CID 43220775
10-(3,4-dimethoxyphenyl)-9-hydroxydecan-5-one
CID 101095743
1-(3-bromo-4-methoxyphenyl)-4-methoxy-4-methylpentan-2-ol
CID 103027436
1-(3-bromo-4-methoxyphenyl)-N-ethylhexan-2-amine
CID 79405562
2-bromo-4-(1-bromodecyl)-1-methoxybenzene
CID 65426016
1-(3-bromophenyl)octan-2-ol
CID 63411241
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(3-bromo-4-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79411886
1-(3-bromo-4-methoxyphenyl)-4-(furan-2-yl)butan-2-ol
CID 105082155

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)undecan-2-ol?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)undecan-2-ol (CID 115779355) is 1-(3-bromo-4-methoxyphenyl)undecan-2-ol.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)undecan-2-ol?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)undecan-2-ol is CCCCCCCCCC(O)Cc1ccc(OC)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)undecan-2-ol?
The InChIKey is ZXIICQBKMZLCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrO2/c1-3-4-5-6-7-8-9-10-16(20)13-15-11-12-18(21-2)17(19)14-15/h11-12,14,16,20H,3-10,13H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)undecan-2-ol?
1-(3-bromo-4-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-(3-bromo-4-methoxyphenyl)undecan-2-ol is sourced from PubChem (CID 115779355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).