5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one

C19H30O2 — CID 122674449

IUPAC5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
SMILESCc1cc(C)c(C(C)(C)CC(=O)C(C)C)c(OC(C)C)c1
InChIInChI=1S/C19H30O2/c1-12(2)16(20)11-19(7,8)18-15(6)9-14(5)10-17(18)21-13(3)4/h9-10,12-13H,11H2,1-8H3
InChIKeyQWCCQYCXQOSHCP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.98
Rot. Bonds6

About 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one

5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one (PubChem CID 122674449) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one.

Molecular Properties

Compound Name5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
PubChem CID122674449
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
SMILESCc1cc(C)c(C(C)(C)CC(=O)C(C)C)c(OC(C)C)c1
InChIInChI=1S/C19H30O2/c1-12(2)16(20)11-19(7,8)18-15(6)9-14(5)10-17(18)21-13(3)4/h9-10,12-13H,11H2,1-8H3
InChIKeyQWCCQYCXQOSHCP-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
The IUPAC name of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one (CID 122674449) is 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one.
What is the SMILES notation for 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
The canonical SMILES for 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one is Cc1cc(C)c(C(C)(C)CC(=O)C(C)C)c(OC(C)C)c1.
What is the InChIKey of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
The InChIKey is QWCCQYCXQOSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-12(2)16(20)11-19(7,8)18-15(6)9-14(5)10-17(18)21-13(3)4/h9-10,12-13H,11H2,1-8H3.
What are the key properties of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one has a molecular weight of 290.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one is sourced from PubChem (CID 122674449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).