7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one

C19H30O2 — CID 148857999

IUPAC7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one
SMILESCC(C)CCC(=O)CCCc1ccc(COC(C)C)cc1
InChIInChI=1S/C19H30O2/c1-15(2)8-13-19(20)7-5-6-17-9-11-18(12-10-17)14-21-16(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyOYTFJYUBRQLOCA-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.94
Rot. Bonds10

About 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one

7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one (PubChem CID 148857999) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one.

Molecular Properties

Compound Name7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one
PubChem CID148857999
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one
SMILESCC(C)CCC(=O)CCCc1ccc(COC(C)C)cc1
InChIInChI=1S/C19H30O2/c1-15(2)8-13-19(20)7-5-6-17-9-11-18(12-10-17)14-21-16(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3
InChIKeyOYTFJYUBRQLOCA-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682
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1-(4-butylphenyl)heptan-4-one
CID 83921783
4-methyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pentan-1-amine
CID 166564774
2-methyl-2-[[4-(propan-2-yloxymethyl)benzoyl]amino]propanoic acid
CID 61263016
[4-(propan-2-yloxymethyl)phenyl]methyl 2-methylbutanoate
CID 70639906
4-(6-methylheptyl)benzoic acid
CID 70349425
N'-(4-chlorobenzoyl)-4-(propan-2-yloxymethyl)benzohydrazide
CID 8621672
1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
1-bromo-7-methyloctan-4-one
CID 106798810
N-butan-2-yl-4-(propan-2-yloxymethyl)benzamide
CID 60645984
5-methylhexan-2-one;4-phenylbutanamide
CID 166139456

Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one?
The IUPAC name of 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one (CID 148857999) is 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one.
What is the SMILES notation for 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one?
The canonical SMILES for 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one is CC(C)CCC(=O)CCCc1ccc(COC(C)C)cc1.
What is the InChIKey of 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one?
The InChIKey is OYTFJYUBRQLOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-15(2)8-13-19(20)7-5-6-17-9-11-18(12-10-17)14-21-16(3)4/h9-12,15-16H,5-8,13-14H2,1-4H3.
What are the key properties of 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one?
7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one has a molecular weight of 290.45 g/mol, XLogP of 4.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[4-(propan-2-yloxymethyl)phenyl]octan-4-one is sourced from PubChem (CID 148857999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).