1-(2-methoxyphenyl)undecan-2-one

C18H28O2 — CID 63409598

IUPAC1-(2-methoxyphenyl)undecan-2-one
SMILESCCCCCCCCCC(=O)Cc1ccccc1OC
InChIInChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-13-17(19)15-16-12-10-11-14-18(16)20-2/h10-12,14H,3-9,13,15H2,1-2H3
InChIKeyULEXDGVDIFBIRZ-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.95
Rot. Bonds11

About 1-(2-methoxyphenyl)undecan-2-one

1-(2-methoxyphenyl)undecan-2-one (PubChem CID 63409598) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)undecan-2-one.

Molecular Properties

Compound Name1-(2-methoxyphenyl)undecan-2-one
PubChem CID63409598
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(2-methoxyphenyl)undecan-2-one
SMILESCCCCCCCCCC(=O)Cc1ccccc1OC
InChIInChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-13-17(19)15-16-12-10-11-14-18(16)20-2/h10-12,14H,3-9,13,15H2,1-2H3
InChIKeyULEXDGVDIFBIRZ-UHFFFAOYSA-N
XLogP4.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.95
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-methoxy-5-methylphenyl)nonan-2-one
CID 114965759
1-(5-chloro-2-methoxyphenyl)undecan-2-one
CID 114968573
1-(5-bromo-2-methoxyphenyl)decan-2-one
CID 114964534
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
1-(2-fluorophenyl)octan-2-one
CID 62620630
1-(2-chlorophenyl)decan-2-one
CID 63409482
1-(2-methylphenyl)heptan-2-one
CID 61055450
1-methoxy-2-tetradecylbenzene
CID 69169530
(2-methoxyphenyl) dodecanoate
CID 139927041
(2-methoxyphenyl) octanoate
CID 68908014
1-(2-methoxyphenyl)undecan-1-one
CID 63411736
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)undecan-2-one?
The IUPAC name of 1-(2-methoxyphenyl)undecan-2-one (CID 63409598) is 1-(2-methoxyphenyl)undecan-2-one.
What is the SMILES notation for 1-(2-methoxyphenyl)undecan-2-one?
The canonical SMILES for 1-(2-methoxyphenyl)undecan-2-one is CCCCCCCCCC(=O)Cc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)undecan-2-one?
The InChIKey is ULEXDGVDIFBIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-3-4-5-6-7-8-9-13-17(19)15-16-12-10-11-14-18(16)20-2/h10-12,14H,3-9,13,15H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)undecan-2-one?
1-(2-methoxyphenyl)undecan-2-one has a molecular weight of 276.42 g/mol, XLogP of 4.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)undecan-2-one is sourced from PubChem (CID 63409598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).