4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine

C20H27NO — CID 151998040

IUPAC4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine
SMILESCc1ccc(CC2C(N3CCOCC3)=CC=CC2C)cc1C
InChIInChI=1S/C20H27NO/c1-15-7-8-18(13-17(15)3)14-19-16(2)5-4-6-20(19)21-9-11-22-12-10-21/h4-8,13,16,19H,9-12,14H2,1-3H3
InChIKeyUGCAYZUOCSWNEY-UHFFFAOYSA-N
MW297.44 g/mol
LogP3.88
Rot. Bonds3

About 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine

4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine (PubChem CID 151998040) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine
PubChem CID151998040
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine
SMILESCc1ccc(CC2C(N3CCOCC3)=CC=CC2C)cc1C
InChIInChI=1S/C20H27NO/c1-15-7-8-18(13-17(15)3)14-19-16(2)5-4-6-20(19)21-9-11-22-12-10-21/h4-8,13,16,19H,9-12,14H2,1-3H3
InChIKeyUGCAYZUOCSWNEY-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
The IUPAC name of 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine (CID 151998040) is 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine.
What is the SMILES notation for 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
The canonical SMILES for 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine is Cc1ccc(CC2C(N3CCOCC3)=CC=CC2C)cc1C.
What is the InChIKey of 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
The InChIKey is UGCAYZUOCSWNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-15-7-8-18(13-17(15)3)14-19-16(2)5-4-6-20(19)21-9-11-22-12-10-21/h4-8,13,16,19H,9-12,14H2,1-3H3.
What are the key properties of 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine?
4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine has a molecular weight of 297.44 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3,4-dimethylphenyl)methyl]-5-methylcyclohexa-1,3-dien-1-yl]morpholine is sourced from PubChem (CID 151998040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).