1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene

C17H18 — CID 123489661

IUPAC1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1ccc(=C)c(Cc2cc(C)ccc2C)c1
InChIInChI=1S/C17H18/c1-12-5-7-14(3)16(9-12)11-17-10-13(2)6-8-15(17)4/h5-10H,1,3,11H2,2,4H3
InChIKeyOGJKADUHQOIRHM-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.71
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene

1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene (PubChem CID 123489661) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene
PubChem CID123489661
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene
SMILESC=c1ccc(=C)c(Cc2cc(C)ccc2C)c1
InChIInChI=1S/C17H18/c1-12-5-7-14(3)16(9-12)11-17-10-13(2)6-8-15(17)4/h5-10H,1,3,11H2,2,4H3
InChIKeyOGJKADUHQOIRHM-UHFFFAOYSA-N
XLogP2.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-bis[(2,5-dimethylphenyl)methyl]-2,5-dimethylbenzene
CID 20734489
1-[(2,5-dimethylphenyl)methyl]-5-[[3-[(2,5-dimethylphenyl)methyl]-4,5-dimethylphenyl]methyl]-2,3-dimethylbenzene
CID 163739903
2-(2-chloroethyl)-1,4-dimethylbenzene
CID 53403519
2-(fluoromethyl)-1,4-dimethylbenzene
CID 15724447
1-chloro-3-[(2,5-dimethylphenyl)methyl]-2-methylbenzene
CID 22768598
2-[(2,5-dimethylphenyl)methyl]naphthalene
CID 101429734
1-(2,5-dimethylphenyl)-N-methylmethanamine;ethane
CID 142925583
2-(bromomethyl)-1,4-dimethylbenzene;methane
CID 178158630
1,4-dimethyl-2-[2-(methylsulfanylmethyl)prop-2-enyl]benzene
CID 146249408
2-(cyclopenta-1,3-dien-1-ylmethyl)-1,4-dimethylbenzene
CID 140587752
1,4-dimethyl-2-(methylsulfanylmethyl)benzene
CID 11768926
2-[2-[2-[2-(2,5-dimethylphenyl)ethyl]phenyl]ethyl]-1,4-dimethylbenzene
CID 132604430

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene (CID 123489661) is 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene is C=c1ccc(=C)c(Cc2cc(C)ccc2C)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene?
The InChIKey is OGJKADUHQOIRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-12-5-7-14(3)16(9-12)11-17-10-13(2)6-8-15(17)4/h5-10H,1,3,11H2,2,4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene?
1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene has a molecular weight of 222.33 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3,6-dimethylidenecyclohexa-1,4-diene is sourced from PubChem (CID 123489661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).