1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene

C15H20O — CID 163958533

IUPAC1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene
SMILESC=C/C(C)=C(\C)Oc1c(C)ccc(C)c1C
InChIInChI=1S/C15H20O/c1-7-10(2)14(6)16-15-12(4)9-8-11(3)13(15)5/h7-9H,1H2,2-6H3/b14-10+
InChIKeySFMUKDZAAWTELK-GXDHUFHOSA-N
MW216.32 g/mol
LogP4.47
Rot. Bonds3

About 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene

1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene (PubChem CID 163958533) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene.

Molecular Properties

Compound Name1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene
PubChem CID163958533
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene
SMILESC=C/C(C)=C(\C)Oc1c(C)ccc(C)c1C
InChIInChI=1S/C15H20O/c1-7-10(2)14(6)16-15-12(4)9-8-11(3)13(15)5/h7-9H,1H2,2-6H3/b14-10+
InChIKeySFMUKDZAAWTELK-GXDHUFHOSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene?
The IUPAC name of 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene (CID 163958533) is 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene.
What is the SMILES notation for 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene?
The canonical SMILES for 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene is C=C/C(C)=C(\C)Oc1c(C)ccc(C)c1C.
What is the InChIKey of 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene?
The InChIKey is SFMUKDZAAWTELK-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H20O/c1-7-10(2)14(6)16-15-12(4)9-8-11(3)13(15)5/h7-9H,1H2,2-6H3/b14-10+.
What are the key properties of 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene?
1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene has a molecular weight of 216.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-3-[(2E)-3-methylpenta-2,4-dien-2-yl]oxybenzene is sourced from PubChem (CID 163958533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).