(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone

C18H25ClO2 — CID 82553178

IUPAC(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
SMILESCc1cc(OC(C)C)c(C(=O)C2CCCCC2)c(C)c1Cl
InChIInChI=1S/C18H25ClO2/c1-11(2)21-15-10-12(3)17(19)13(4)16(15)18(20)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyRPOQFSJYBITLJC-UHFFFAOYSA-N
MW308.85 g/mol
LogP5.51
Rot. Bonds4

About (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone

(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone (PubChem CID 82553178) has the molecular formula C18H25ClO2 and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
PubChem CID82553178
Molecular FormulaC18H25ClO2
Molecular Weight308.85 g/mol
Exact Mass308.15
IUPAC Name(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone
SMILESCc1cc(OC(C)C)c(C(=O)C2CCCCC2)c(C)c1Cl
InChIInChI=1S/C18H25ClO2/c1-11(2)21-15-10-12(3)17(19)13(4)16(15)18(20)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3
InChIKeyRPOQFSJYBITLJC-UHFFFAOYSA-N
XLogP5.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.85
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)ethanone
CID 82053386
cyclohexyl-(4,5-dichloro-2-propan-2-yloxyphenyl)methanone
CID 82553847
(3-aminocyclobutyl)-(3-chloro-6-methoxy-2,4-dimethylphenyl)methanone
CID 116917722
(4-aminophenyl)-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)methanone
CID 82265287
1-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-2-propan-2-ylsulfanylethanone
CID 82053390
methyl (E)-4-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-4-oxobut-2-enoate
CID 82553184
cyclohexyl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanone
CID 82552755
cyclohexyl-(2-methoxy-4,5-dimethylphenyl)methanone
CID 82049372
ethyl 2-(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)acetate
CID 82553188
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-pyrrolidin-2-ylmethanone
CID 82553125
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
cyclohexyl-(4-methoxy-2,5-dimethylphenyl)methanone
CID 82049373

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone?
The IUPAC name of (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone (CID 82553178) is (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone.
What is the SMILES notation for (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone?
The canonical SMILES for (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone is Cc1cc(OC(C)C)c(C(=O)C2CCCCC2)c(C)c1Cl.
What is the InChIKey of (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone?
The InChIKey is RPOQFSJYBITLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO2/c1-11(2)21-15-10-12(3)17(19)13(4)16(15)18(20)14-8-6-5-7-9-14/h10-11,14H,5-9H2,1-4H3.
What are the key properties of (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone?
(3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone has a molecular weight of 308.85 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-dimethyl-6-propan-2-yloxyphenyl)-cyclohexylmethanone is sourced from PubChem (CID 82553178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).