1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene

C15H18O — CID 143190699

IUPAC1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
SMILESC=C(C)/C=C\C(=C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H18O/c1-11(2)6-8-14(5)16-15-9-7-12(3)13(4)10-15/h6-10H,1,5H2,2-4H3/b8-6-
InChIKeyYKAXWUJAWLYDBK-VURMDHGXSA-N
MW214.31 g/mol
LogP4.33
Rot. Bonds4

About 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene

1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene (PubChem CID 143190699) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene.

Molecular Properties

Compound Name1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
PubChem CID143190699
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene
SMILESC=C(C)/C=C\C(=C)Oc1ccc(C)c(C)c1
InChIInChI=1S/C15H18O/c1-11(2)6-8-14(5)16-15-9-7-12(3)13(4)10-15/h6-10H,1,5H2,2-4H3/b8-6-
InChIKeyYKAXWUJAWLYDBK-VURMDHGXSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.33
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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Related Compounds

4-[(2E,4E)-5-fluorohepta-2,4,6-trien-2-yl]oxy-1,2-dimethylbenzene
CID 167001306
4-[(E)-1,2-dichloroethenoxy]-1,2-dimethylbenzene
CID 14317674
ethane;4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]oxy-1,2-dimethylbenzene
CID 143523190
1,2-dimethyl-4-(2-methylprop-1-enoxy)benzene
CID 88971342
1,2-dimethyl-4-(1,2,2-trifluoroethenoxy)benzene
CID 18956451
(3,4-dimethylphenyl) N-ethenylcarbamate
CID 71409278
4-[(1E,3Z)-3,4-dimethylhexa-1,3,5-trienoxy]-1,2-dimethylbenzene
CID 170928678
ethene;4-methoxy-1,2-dimethylbenzene
CID 145003805
ethene;1-methyl-3-[(3Z)-penta-1,3-dien-2-yl]oxybenzene
CID 142857117
[4-[(2E,3Z)-2-ethylidene-5-methylhexa-3,5-dienoyl]oxy-3-methylphenyl] 4-methylbenzoate
CID 155259582
4-O-(3,4-dimethylphenyl) 1-O-hexadecyl (E)-but-2-enedioate
CID 91711218
4-O-(3,4-dimethylphenyl) 1-O-heptyl (E)-but-2-enedioate
CID 91711228

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene?
The IUPAC name of 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene (CID 143190699) is 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene.
What is the SMILES notation for 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene?
The canonical SMILES for 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene is C=C(C)/C=C\C(=C)Oc1ccc(C)c(C)c1.
What is the InChIKey of 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene?
The InChIKey is YKAXWUJAWLYDBK-VURMDHGXSA-N. The full InChI is InChI=1S/C15H18O/c1-11(2)6-8-14(5)16-15-9-7-12(3)13(4)10-15/h6-10H,1,5H2,2-4H3/b8-6-.
What are the key properties of 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene?
1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene has a molecular weight of 214.31 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]oxybenzene is sourced from PubChem (CID 143190699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).