1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene

C14H18O — CID 88575510

IUPAC1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
SMILESC/C=C\C(=C/C)COc1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-4-6-13(5-2)11-15-14-9-7-12(3)8-10-14/h4-10H,11H2,1-3H3/b6-4-,13-5+
InChIKeyOBEPHCORCBDDHJ-GLRUQPRCSA-N
MW202.30 g/mol
LogP3.90
Rot. Bonds4

About 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene

1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene (PubChem CID 88575510) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene.

Molecular Properties

Compound Name1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
PubChem CID88575510
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
SMILESC/C=C\C(=C/C)COc1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-4-6-13(5-2)11-15-14-9-7-12(3)8-10-14/h4-10H,11H2,1-3H3/b6-4-,13-5+
InChIKeyOBEPHCORCBDDHJ-GLRUQPRCSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-propylbenzene
CID 167457569
lithium 2-(4-methylphenoxy)acetate
CID 19205665
1-(2,3-dichloroprop-2-enoxy)-4-methylbenzene
CID 572020
2-(4-methylphenoxy)ethanethioamide
CID 7745454
1-methyl-4-(2-methylidenebut-3-enoxy)benzene;propane
CID 142879845
1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
2-[2-(4-methylphenoxy)acetyl]oxyethyl 2-(4-methylphenoxy)acetate
CID 90306782
1,8-bis(4-methylphenoxy)octane-2,7-dione
CID 139326266
2-[1-[8-[4-[(Z,2E)-2-ethylidenepent-3-enoxy]phenoxy]octoxy]-3-phenylpropan-2-yl]guanidine
CID 142204937
methyl 2-[4-(4-methylphenyl)phenoxy]acetate
CID 2791912
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
2-(4-methylphenoxy)-N-(4-methylphenyl)acetamide
CID 681889

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene?
The IUPAC name of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene (CID 88575510) is 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene.
What is the SMILES notation for 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene?
The canonical SMILES for 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene is C/C=C\C(=C/C)COc1ccc(C)cc1.
What is the InChIKey of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene?
The InChIKey is OBEPHCORCBDDHJ-GLRUQPRCSA-N. The full InChI is InChI=1S/C14H18O/c1-4-6-13(5-2)11-15-14-9-7-12(3)8-10-14/h4-10H,11H2,1-3H3/b6-4-,13-5+.
What are the key properties of 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene?
1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene is sourced from PubChem (CID 88575510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).