1-(4-cyclopropyloxyphenyl)nonan-1-one

C18H26O2 — CID 115812846

IUPAC1-(4-cyclopropyloxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-18(19)15-9-11-16(12-10-15)20-17-13-14-17/h9-12,17H,2-8,13-14H2,1H3
InChIKeyREJSAZFKGURKLN-UHFFFAOYSA-N
MW274.40 g/mol
LogP5.16
Rot. Bonds10

About 1-(4-cyclopropyloxyphenyl)nonan-1-one

1-(4-cyclopropyloxyphenyl)nonan-1-one (PubChem CID 115812846) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)nonan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)nonan-1-one
PubChem CID115812846
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(4-cyclopropyloxyphenyl)nonan-1-one
SMILESCCCCCCCCC(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-18(19)15-9-11-16(12-10-15)20-17-13-14-17/h9-12,17H,2-8,13-14H2,1H3
InChIKeyREJSAZFKGURKLN-UHFFFAOYSA-N
XLogP5.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.40
LogP ≤ 55.16
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-(4-ethoxyphenyl)dodecan-1-one
CID 146006535
1-[4-(4-octadecanoylphenoxy)phenyl]octadecan-1-one
CID 71345622
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
(4-undecanoylphenyl) dihydrogen phosphite
CID 174776002
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-[4-[(4-octanoylphenyl)methyl]phenyl]octan-1-one
CID 139210791
2-(4-decanoylphenoxy)acetic acid
CID 606645
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
1-[4-(trifluoromethoxy)phenyl]nonan-1-one
CID 114966864
2-(4-nonanoylphenoxy)acetic acid
CID 139757126

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)nonan-1-one?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)nonan-1-one (CID 115812846) is 1-(4-cyclopropyloxyphenyl)nonan-1-one.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)nonan-1-one?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)nonan-1-one is CCCCCCCCC(=O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)nonan-1-one?
The InChIKey is REJSAZFKGURKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-2-3-4-5-6-7-8-18(19)15-9-11-16(12-10-15)20-17-13-14-17/h9-12,17H,2-8,13-14H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)nonan-1-one?
1-(4-cyclopropyloxyphenyl)nonan-1-one has a molecular weight of 274.40 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)nonan-1-one is sourced from PubChem (CID 115812846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).