6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one

C17H25ClO2 — CID 83940616

IUPAC6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
SMILESCCOc1c(C)cc(Cl)c(C)c1CCCC(=O)C(C)C
InChIInChI=1S/C17H25ClO2/c1-6-20-17-12(4)10-15(18)13(5)14(17)8-7-9-16(19)11(2)3/h10-11H,6-9H2,1-5H3
InChIKeyUCZYOPZUEJFMLF-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.90
Rot. Bonds7

About 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one

6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one (PubChem CID 83940616) has the molecular formula C17H25ClO2 and a molecular weight of 296.84 g/mol. Its IUPAC name is 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one.

Molecular Properties

Compound Name6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
PubChem CID83940616
Molecular FormulaC17H25ClO2
Molecular Weight296.84 g/mol
Exact Mass296.15
IUPAC Name6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
SMILESCCOc1c(C)cc(Cl)c(C)c1CCCC(=O)C(C)C
InChIInChI=1S/C17H25ClO2/c1-6-20-17-12(4)10-15(18)13(5)14(17)8-7-9-16(19)11(2)3/h10-11H,6-9H2,1-5H3
InChIKeyUCZYOPZUEJFMLF-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
4-amino-1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)pentan-3-ol
CID 83940663
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
2-(aminomethyl)-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-ol
CID 83940579
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
6-(3-tert-butyl-2-ethoxy-5-methylphenyl)-2-methylhexan-3-one
CID 83943073
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
7-(2-chloro-3-ethoxy-5-methylphenyl)-2-methylheptan-3-one
CID 155189088
2-[1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)propan-2-yl]-3-methyloxirane
CID 83940660
2-(3-chloro-2,5-dimethyl-6-propan-2-yloxyphenyl)acetic acid
CID 82266792
8-(2-chloro-5-ethoxyphenyl)-2-methyloctan-3-one;ethane
CID 156860614

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one?
The IUPAC name of 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one (CID 83940616) is 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one.
What is the SMILES notation for 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one?
The canonical SMILES for 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one is CCOc1c(C)cc(Cl)c(C)c1CCCC(=O)C(C)C.
What is the InChIKey of 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one?
The InChIKey is UCZYOPZUEJFMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClO2/c1-6-20-17-12(4)10-15(18)13(5)14(17)8-7-9-16(19)11(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one?
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one has a molecular weight of 296.84 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one is sourced from PubChem (CID 83940616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).