[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone

C23H30O2 — CID 54518256

IUPAC[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone
SMILESCCCCC(CCC(C)OC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H30O2/c1-4-5-11-19(17-16-18(2)25-3)21-14-9-10-15-22(21)23(24)20-12-7-6-8-13-20/h6-10,12-15,18-19H,4-5,11,16-17H2,1-3H3
InChIKeyYNXVHLUXXCFKHP-UHFFFAOYSA-N
MW338.49 g/mol
LogP6.01
Rot. Bonds10

About [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone

[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone (PubChem CID 54518256) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone
PubChem CID54518256
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone
SMILESCCCCC(CCC(C)OC)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C23H30O2/c1-4-5-11-19(17-16-18(2)25-3)21-14-9-10-15-22(21)23(24)20-12-7-6-8-13-20/h6-10,12-15,18-19H,4-5,11,16-17H2,1-3H3
InChIKeyYNXVHLUXXCFKHP-UHFFFAOYSA-N
XLogP6.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-nonan-4-ylphenyl)-phenylmethanone
CID 54511244
[2-(2-hydroxydodecan-4-yl)phenyl]-phenylmethanone
CID 19975082
3-butyl-6-methoxy-1-phenylheptan-1-one
CID 70400379
(2-butan-2-ylphenyl)-phenylmethanone;hydrochloride
CID 23128537
[2-[1-(dibutylamino)butyl]phenyl]-phenylmethanone
CID 139607341
3-(2-benzoylphenyl)butan-2-one
CID 69061840
2-(1-ethoxy-1-oxoheptan-3-yl)benzoic acid
CID 154081112
diphenylmethanone;3-methylheptane
CID 174880774
2-icosan-9-ylbenzoate
CID 23205653
2-hydroxyhexyl 2-benzoylbenzoate
CID 155068883
3-docosan-11-ylphthalic acid
CID 67127150
4-methoxypentyl benzoate
CID 177401647

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone?
The IUPAC name of [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone (CID 54518256) is [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone?
The canonical SMILES for [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone is CCCCC(CCC(C)OC)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone?
The InChIKey is YNXVHLUXXCFKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O2/c1-4-5-11-19(17-16-18(2)25-3)21-14-9-10-15-22(21)23(24)20-12-7-6-8-13-20/h6-10,12-15,18-19H,4-5,11,16-17H2,1-3H3.
What are the key properties of [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone?
[2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone has a molecular weight of 338.49 g/mol, XLogP of 6.01, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxynonan-5-yl)phenyl]-phenylmethanone is sourced from PubChem (CID 54518256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).