1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one

C15H20Cl2O2 — CID 83941095

IUPAC1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one
SMILESCCCC(=O)CC(C)Cc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C15H20Cl2O2/c1-4-5-13(18)7-10(2)6-11-8-12(16)9-14(17)15(11)19-3/h8-10H,4-7H2,1-3H3
InChIKeyPNDCPTXIDTUDGL-UHFFFAOYSA-N
MW303.23 g/mol
LogP4.94
Rot. Bonds7

About 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one

1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one (PubChem CID 83941095) has the molecular formula C15H20Cl2O2 and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one.

Molecular Properties

Compound Name1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one
PubChem CID83941095
Molecular FormulaC15H20Cl2O2
Molecular Weight303.23 g/mol
Exact Mass302.08
IUPAC Name1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one
SMILESCCCC(=O)CC(C)Cc1cc(Cl)cc(Cl)c1OC
InChIInChI=1S/C15H20Cl2O2/c1-4-5-13(18)7-10(2)6-11-8-12(16)9-14(17)15(11)19-3/h8-10H,4-7H2,1-3H3
InChIKeyPNDCPTXIDTUDGL-UHFFFAOYSA-N
XLogP4.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2-propoxyphenyl)-2-methylheptan-4-one
CID 83933394
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-amino-3-(3,5-dichloro-2-methoxyphenyl)propanamide
CID 116850865
1-(2,3-dichlorophenyl)-2-methylheptan-4-one
CID 83924687
1-(5-bromo-2-methoxyphenyl)-2-methylheptan-4-one
CID 83933770
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-4-methylpentan-2-one
CID 83938850
1-(5-chloro-3-ethyl-2-methoxyphenyl)propan-2-ol
CID 117329700
1-(2-hydroxyphenyl)-2-methylheptan-4-one
CID 83930510
5-(3,5-dichloro-4-methoxyphenyl)-4-methylpentan-2-one
CID 83928629
2-[(3,5-dichloro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 122036939
1-(5-bromo-2-fluorophenyl)-2-methylheptan-4-one
CID 83933876
methyl N-[(3,5-dichloro-2-methoxyphenyl)methyl]carbamate
CID 110782986

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one?
The IUPAC name of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one (CID 83941095) is 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one.
What is the SMILES notation for 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one?
The canonical SMILES for 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one is CCCC(=O)CC(C)Cc1cc(Cl)cc(Cl)c1OC.
What is the InChIKey of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one?
The InChIKey is PNDCPTXIDTUDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2O2/c1-4-5-13(18)7-10(2)6-11-8-12(16)9-14(17)15(11)19-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one?
1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one has a molecular weight of 303.23 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-methoxyphenyl)-2-methylheptan-4-one is sourced from PubChem (CID 83941095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).