1-(2-methoxy-5-methylphenyl)undecan-1-one

C19H30O2 — CID 114968931

IUPAC1-(2-methoxy-5-methylphenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-18(20)17-15-16(2)13-14-19(17)21-3/h13-15H,4-12H2,1-3H3
InChIKeyQICZMDGLHNQKAQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.72
Rot. Bonds11

About 1-(2-methoxy-5-methylphenyl)undecan-1-one

1-(2-methoxy-5-methylphenyl)undecan-1-one (PubChem CID 114968931) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)undecan-1-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)undecan-1-one
PubChem CID114968931
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name1-(2-methoxy-5-methylphenyl)undecan-1-one
SMILESCCCCCCCCCCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-18(20)17-15-16(2)13-14-19(17)21-3/h13-15H,4-12H2,1-3H3
InChIKeyQICZMDGLHNQKAQ-UHFFFAOYSA-N
XLogP5.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
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-ethoxy-5-methylphenyl)nonan-1-one
CID 65447426
1-(5-chloro-2-methoxyphenyl)octan-1-one
CID 112698728
5-bromo-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 146007223
1-(5-chloro-2-methoxyphenyl)hexan-1-one
CID 57310982
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
1-(5-iodo-2-methoxyphenyl)hexan-1-one
CID 43161666
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
1-(2-fluoro-5-methylphenyl)decan-1-one
CID 114966456
1-(2-amino-5-methylphenyl)nonan-1-one
CID 116581263
1-(2-fluoro-4-methylphenyl)octan-1-one
CID 114966540

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)undecan-1-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)undecan-1-one (CID 114968931) is 1-(2-methoxy-5-methylphenyl)undecan-1-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)undecan-1-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)undecan-1-one is CCCCCCCCCCC(=O)c1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)undecan-1-one?
The InChIKey is QICZMDGLHNQKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-4-5-6-7-8-9-10-11-12-18(20)17-15-16(2)13-14-19(17)21-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)undecan-1-one?
1-(2-methoxy-5-methylphenyl)undecan-1-one has a molecular weight of 290.45 g/mol, XLogP of 5.72, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)undecan-1-one is sourced from PubChem (CID 114968931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).