1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene

C14H18O — CID 144748252

IUPAC1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene
SMILESC/C=C\C=C/C(C)Oc1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-4-5-6-7-13(3)15-14-10-8-12(2)9-11-14/h4-11,13H,1-3H3/b5-4-,7-6-
InChIKeyCVTYZGCERVCCQU-RZSVFLSASA-N
MW202.30 g/mol
LogP3.89
Rot. Bonds4

About 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene

1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene (PubChem CID 144748252) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene.

Molecular Properties

Compound Name1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene
PubChem CID144748252
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene
SMILESC/C=C\C=C/C(C)Oc1ccc(C)cc1
InChIInChI=1S/C14H18O/c1-4-5-6-7-13(3)15-14-10-8-12(2)9-11-14/h4-11,13H,1-3H3/b5-4-,7-6-
InChIKeyCVTYZGCERVCCQU-RZSVFLSASA-N
XLogP3.89
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 ≤ 53.89
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

(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
2-[4-(4-methylphenyl)phenoxy]propanenitrile
CID 22688508
1-(1-methoxypropan-2-yloxy)-4-methylbenzene
CID 64765827
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
1-[4-(N-[4-(1-hydroxyethoxy)phenyl]-4-methylanilino)phenoxy]ethanol
CID 71095103
1-(1-iodoprop-2-enoxy)-4-methylbenzene
CID 134463501
1-methyl-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]oxybenzene
CID 143659600
2-(4-methylphenoxy)-N-[(E)-pent-3-enyl]propanamide
CID 115627833
N,N-dimethyl-2-(4-methylphenoxy)propan-1-amine
CID 89477371
(2S)-2-(4-methylphenoxy)propanoate
CID 6988515
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
1-methyl-4-[(2Z,4E)-6-methylhepta-2,4-dien-4-yl]oxybenzene
CID 143551203

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene?
The IUPAC name of 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene (CID 144748252) is 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene.
What is the SMILES notation for 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene?
The canonical SMILES for 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene is C/C=C\C=C/C(C)Oc1ccc(C)cc1.
What is the InChIKey of 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene?
The InChIKey is CVTYZGCERVCCQU-RZSVFLSASA-N. The full InChI is InChI=1S/C14H18O/c1-4-5-6-7-13(3)15-14-10-8-12(2)9-11-14/h4-11,13H,1-3H3/b5-4-,7-6-.
What are the key properties of 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene?
1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene has a molecular weight of 202.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-hepta-3,5-dien-2-yl]oxy-4-methylbenzene is sourced from PubChem (CID 144748252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).