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

C17H26O2 — CID 114965759

IUPAC1-(2-methoxy-5-methylphenyl)nonan-2-one
SMILESCCCCCCCC(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H26O2/c1-4-5-6-7-8-9-16(18)13-15-12-14(2)10-11-17(15)19-3/h10-12H,4-9,13H2,1-3H3
InChIKeyKEMCSGXRALVGJI-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.48
Rot. Bonds9

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

1-(2-methoxy-5-methylphenyl)nonan-2-one (PubChem CID 114965759) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)nonan-2-one.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)nonan-2-one
PubChem CID114965759
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(2-methoxy-5-methylphenyl)nonan-2-one
SMILESCCCCCCCC(=O)Cc1cc(C)ccc1OC
InChIInChI=1S/C17H26O2/c1-4-5-6-7-8-9-16(18)13-15-12-14(2)10-11-17(15)19-3/h10-12H,4-9,13H2,1-3H3
InChIKeyKEMCSGXRALVGJI-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.48
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

6-amino-1-(2-methoxy-5-methylphenyl)hexan-2-one
CID 116572089
1-(5-bromo-2-methoxyphenyl)decan-2-one
CID 114964534
1-(5-chloro-2-methoxyphenyl)undecan-2-one
CID 114968573
1-(2-methoxyphenyl)undecan-2-one
CID 63409598
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
1-(2,5-dimethylphenyl)-3-(2-methoxy-5-methylphenyl)propan-2-one
CID 114965749
1-(3,4-dimethoxyphenyl)heptan-2-one
CID 61056663
1-(2-chloro-4-methylphenyl)octan-2-one
CID 106865282
N-(2-methoxy-5-methylphenyl)dodecanamide
CID 4196048
1-(2-chloro-4-methylphenyl)heptan-2-one
CID 106865600
3-amino-1-(2-methoxy-5-methylphenyl)heptan-2-one
CID 116556836
4-amino-1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-one
CID 116581195

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)nonan-2-one?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)nonan-2-one (CID 114965759) is 1-(2-methoxy-5-methylphenyl)nonan-2-one.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)nonan-2-one?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)nonan-2-one is CCCCCCCC(=O)Cc1cc(C)ccc1OC.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)nonan-2-one?
The InChIKey is KEMCSGXRALVGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-5-6-7-8-9-16(18)13-15-12-14(2)10-11-17(15)19-3/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)nonan-2-one?
1-(2-methoxy-5-methylphenyl)nonan-2-one has a molecular weight of 262.39 g/mol, XLogP of 4.48, 9 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)nonan-2-one is sourced from PubChem (CID 114965759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).