3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol

C13H16O2 — CID 15532232

IUPAC3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol
SMILESC=C/C=C(\C)COc1ccc(O)cc1C
InChIInChI=1S/C13H16O2/c1-4-5-10(2)9-15-13-7-6-12(14)8-11(13)3/h4-8,14H,1,9H2,2-3H3/b10-5+
InChIKeyNREGEPIKFGNRJP-BJMVGYQFSA-N
MW204.27 g/mol
LogP3.21
Rot. Bonds4

About 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol

3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol (PubChem CID 15532232) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol.

Molecular Properties

Compound Name3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol
PubChem CID15532232
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol
SMILESC=C/C=C(\C)COc1ccc(O)cc1C
InChIInChI=1S/C13H16O2/c1-4-5-10(2)9-15-13-7-6-12(14)8-11(13)3/h4-8,14H,1,9H2,2-3H3/b10-5+
InChIKeyNREGEPIKFGNRJP-BJMVGYQFSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol?
The IUPAC name of 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol (CID 15532232) is 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol.
What is the SMILES notation for 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol?
The canonical SMILES for 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol is C=C/C=C(\C)COc1ccc(O)cc1C.
What is the InChIKey of 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol?
The InChIKey is NREGEPIKFGNRJP-BJMVGYQFSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-5-10(2)9-15-13-7-6-12(14)8-11(13)3/h4-8,14H,1,9H2,2-3H3/b10-5+.
What are the key properties of 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol?
3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol has a molecular weight of 204.27 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2E)-2-methylpenta-2,4-dienoxy]phenol is sourced from PubChem (CID 15532232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).