1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene

C23H32O2 — CID 143183929

IUPAC1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene
SMILESC=CCOC(=C)/C=C\C(=C/C)C(C)C.C=CCOc1ccc(C)cc1
InChIInChI=1S/C13H20O.C10H12O/c1-6-10-14-12(5)8-9-13(7-2)11(3)4;1-3-8-11-10-6-4-9(2)5-7-10/h6-9,11H,1,5,10H2,2-4H3;3-7H,1,8H2,2H3/b9-8-,13-7+;
InChIKeyVUGDPPNKCMZDMF-SDLQPTETSA-N
MW340.51 g/mol
LogP6.42
Rot. Bonds9

About 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene

1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene (PubChem CID 143183929) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene
PubChem CID143183929
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene
SMILESC=CCOC(=C)/C=C\C(=C/C)C(C)C.C=CCOc1ccc(C)cc1
InChIInChI=1S/C13H20O.C10H12O/c1-6-10-14-12(5)8-9-13(7-2)11(3)4;1-3-8-11-10-6-4-9(2)5-7-10/h6-9,11H,1,5,10H2,2-4H3;3-7H,1,8H2,2H3/b9-8-,13-7+;
InChIKeyVUGDPPNKCMZDMF-SDLQPTETSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-prop-2-enoxyphenyl)ethanamine
CID 63367601
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
1-methyl-4-(3-prop-2-enoxyprop-2-enoxy)benzene;propane-1,2-diol
CID 174744411
4-(4-prop-2-enoxyphenyl)phenol
CID 14817245
1-[(1R)-1-(4-methylphenyl)ethyl]-3-(4-prop-2-enoxyphenyl)thiourea
CID 100645255
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
2-amino-3-methyl-N-(4-prop-2-enoxyphenyl)butanamide
CID 112501590
methane;1-methyl-4-[(2E)-penta-2,4-dienoxy]benzene
CID 161371007
1-methyl-4-tridec-12-enoxybenzene
CID 139447523
1-[(Z,2E)-2-ethylidenepent-3-enoxy]-4-methylbenzene
CID 88575510
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486084

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene?
The IUPAC name of 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene (CID 143183929) is 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene.
What is the SMILES notation for 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene?
The canonical SMILES for 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene is C=CCOC(=C)/C=C\C(=C/C)C(C)C.C=CCOc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene?
The InChIKey is VUGDPPNKCMZDMF-SDLQPTETSA-N. The full InChI is InChI=1S/C13H20O.C10H12O/c1-6-10-14-12(5)8-9-13(7-2)11(3)4;1-3-8-11-10-6-4-9(2)5-7-10/h6-9,11H,1,5,10H2,2-4H3;3-7H,1,8H2,2H3/b9-8-,13-7+;.
What are the key properties of 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene?
1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene has a molecular weight of 340.51 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-prop-2-enoxybenzene;(3Z,5Z)-5-propan-2-yl-2-prop-2-enoxyhepta-1,3,5-triene is sourced from PubChem (CID 143183929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).