cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone

C18H22O2 — CID 145053869

IUPACcyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)C2=CC=CCC2)c(C)cc1OC(C)C
InChIInChI=1S/C18H22O2/c1-12(2)20-17-11-13(3)16(10-14(17)4)18(19)15-8-6-5-7-9-15/h5-6,8,10-12H,7,9H2,1-4H3
InChIKeyOYFZXSOGORLLCC-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.55
Rot. Bonds4

About cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone

cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone (PubChem CID 145053869) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone
PubChem CID145053869
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Namecyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone
SMILESCc1cc(C(=O)C2=CC=CCC2)c(C)cc1OC(C)C
InChIInChI=1S/C18H22O2/c1-12(2)20-17-11-13(3)16(10-14(17)4)18(19)15-8-6-5-7-9-15/h5-6,8,10-12H,7,9H2,1-4H3
InChIKeyOYFZXSOGORLLCC-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone?
The IUPAC name of cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone (CID 145053869) is cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone is Cc1cc(C(=O)C2=CC=CCC2)c(C)cc1OC(C)C.
What is the InChIKey of cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone?
The InChIKey is OYFZXSOGORLLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-12(2)20-17-11-13(3)16(10-14(17)4)18(19)15-8-6-5-7-9-15/h5-6,8,10-12H,7,9H2,1-4H3.
What are the key properties of cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone?
cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone has a molecular weight of 270.37 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-yl-(2,5-dimethyl-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 145053869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).