1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol

C18H29BrO2 — CID 65433754

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C18H29BrO2/c1-4-5-6-7-8-9-10-11-17(20)15-13-16(19)14(2)12-18(15)21-3/h12-13,17,20H,4-11H2,1-3H3
InChIKeyDKOKJJAWJLLAKC-UHFFFAOYSA-N
MW357.33 g/mol
LogP5.94
Rot. Bonds10

About 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol

1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol (PubChem CID 65433754) has the molecular formula C18H29BrO2 and a molecular weight of 357.33 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
PubChem CID65433754
Molecular FormulaC18H29BrO2
Molecular Weight357.33 g/mol
Exact Mass356.14
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
SMILESCCCCCCCCCC(O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C18H29BrO2/c1-4-5-6-7-8-9-10-11-17(20)15-13-16(19)14(2)12-18(15)21-3/h12-13,17,20H,4-11H2,1-3H3
InChIKeyDKOKJJAWJLLAKC-UHFFFAOYSA-N
XLogP5.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.33
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-5-(1-bromooctyl)-4-methoxy-2-methylbenzene
CID 65433776
1-(5-bromo-2-methoxy-4-methylphenyl)-N-ethylheptan-1-amine
CID 114752580
1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylhexan-1-amine
CID 65433149
1-(4,5-dimethoxy-2-methylphenyl)hexan-1-ol
CID 61080760
1-(2-methoxy-5-methylphenyl)decan-1-ol
CID 65427724
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691
1-(4,5-dimethoxy-2-methylphenyl)pentan-1-ol
CID 61080758
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-methoxyphenyl)ethanol
CID 65434708
1-(2-bromo-4-methoxyphenyl)octan-1-ol
CID 55199625
1-(2-bromo-4-methoxyphenyl)heptan-1-ol
CID 114753404
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 65434522
1-(1-bromooctyl)-4,5-dimethoxy-2-methylbenzene
CID 63443348

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol (CID 65433754) is 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol is CCCCCCCCCC(O)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol?
The InChIKey is DKOKJJAWJLLAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29BrO2/c1-4-5-6-7-8-9-10-11-17(20)15-13-16(19)14(2)12-18(15)21-3/h12-13,17,20H,4-11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol?
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol has a molecular weight of 357.33 g/mol, XLogP of 5.94, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol is sourced from PubChem (CID 65433754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).