cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone

C16H20Cl2O2 — CID 82553847

IUPACcyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cc(Cl)c(Cl)cc1C(=O)C1CCCCC1
InChIInChI=1S/C16H20Cl2O2/c1-10(2)20-15-9-14(18)13(17)8-12(15)16(19)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyNYHZURIJMQJUCK-UHFFFAOYSA-N
MW315.24 g/mol
LogP5.54
Rot. Bonds4

About cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone

cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone (PubChem CID 82553847) has the molecular formula C16H20Cl2O2 and a molecular weight of 315.24 g/mol. Its IUPAC name is cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone
PubChem CID82553847
Molecular FormulaC16H20Cl2O2
Molecular Weight315.24 g/mol
Exact Mass314.08
IUPAC Namecyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1cc(Cl)c(Cl)cc1C(=O)C1CCCCC1
InChIInChI=1S/C16H20Cl2O2/c1-10(2)20-15-9-14(18)13(17)8-12(15)16(19)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
InChIKeyNYHZURIJMQJUCK-UHFFFAOYSA-N
XLogP5.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.24
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
CID 82553178
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
(4-chloro-2,5-dimethoxyphenyl)-cyclopropylmethanone
CID 82268057
(E)-4-(4,5-dichloro-2-propan-2-yloxyphenyl)-4-oxobut-2-enoic acid
CID 82553860
[2-chloro-4,5-di(propan-2-yloxy)phenyl]-pyrrolidin-2-ylmethanone
CID 82551487
5-chloro-4-fluoro-2-propan-2-yloxybenzoic acid
CID 118331973
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
1-[2-chloro-4,5-di(propan-2-yloxy)phenyl]ethanone
CID 82268179

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone?
The IUPAC name of cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone (CID 82553847) is cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone?
The canonical SMILES for cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone is CC(C)Oc1cc(Cl)c(Cl)cc1C(=O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone?
The InChIKey is NYHZURIJMQJUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2O2/c1-10(2)20-15-9-14(18)13(17)8-12(15)16(19)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone?
cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone has a molecular weight of 315.24 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 82553847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).