4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one

C16H24O2 — CID 167489420

IUPAC4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one
SMILESCc1ccc(C(=O)CCC(C)C)cc1OC(C)C
InChIInChI=1S/C16H24O2/c1-11(2)6-9-15(17)14-8-7-13(5)16(10-14)18-12(3)4/h7-8,10-12H,6,9H2,1-5H3
InChIKeyBWVPQUOVQVBKQL-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.40
Rot. Bonds6

About 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one

4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one (PubChem CID 167489420) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one
PubChem CID167489420
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one
SMILESCc1ccc(C(=O)CCC(C)C)cc1OC(C)C
InChIInChI=1S/C16H24O2/c1-11(2)6-9-15(17)14-8-7-13(5)16(10-14)18-12(3)4/h7-8,10-12H,6,9H2,1-5H3
InChIKeyBWVPQUOVQVBKQL-UHFFFAOYSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82051544
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
3-(diethylamino)-1-[3,4-di(propan-2-yloxy)phenyl]propan-1-one
CID 82050380
1-(3-tert-butyl-4-propan-2-yloxyphenyl)butan-1-one
CID 82263816
1-(3-methoxy-4-methylphenyl)propan-1-one
CID 71349712
1-(4-methoxy-3-phenylmethoxyphenyl)-4-methylpentan-1-one
CID 19049285
(5-butanoyl-2-methylphenyl) acetate
CID 143787164
methyl 3-(3-methyl-4-propan-2-yloxyphenyl)-3-oxopropanoate
CID 95461156
4-methyl-1-(4-propan-2-ylphenyl)pentan-1-one
CID 43625084
4-[3-methyl-4-(2-methylpropoxy)phenyl]-4-oxobutanoic acid
CID 82051476
6-amino-1-(3,4-dimethylphenyl)-4-methylhexan-1-one
CID 116581624

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one?
The IUPAC name of 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one (CID 167489420) is 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one is Cc1ccc(C(=O)CCC(C)C)cc1OC(C)C.
What is the InChIKey of 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one?
The InChIKey is BWVPQUOVQVBKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-11(2)6-9-15(17)14-8-7-13(5)16(10-14)18-12(3)4/h7-8,10-12H,6,9H2,1-5H3.
What are the key properties of 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one?
4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one has a molecular weight of 248.37 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methyl-3-propan-2-yloxyphenyl)pentan-1-one is sourced from PubChem (CID 167489420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).