1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene

C15H18O — CID 142927052

IUPAC1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene
SMILESC=C/C=C\C(=C)OCc1ccccc1CC
InChIInChI=1S/C15H18O/c1-4-6-9-13(3)16-12-15-11-8-7-10-14(15)5-2/h4,6-11H,1,3,5,12H2,2H3/b9-6-
InChIKeyLIDQKQXBVKMERN-TWGQIWQCSA-N
MW214.31 g/mol
LogP4.02
Rot. Bonds6

About 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene

1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene (PubChem CID 142927052) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene
PubChem CID142927052
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene
SMILESC=C/C=C\C(=C)OCc1ccccc1CC
InChIInChI=1S/C15H18O/c1-4-6-9-13(3)16-12-15-11-8-7-10-14(15)5-2/h4,6-11H,1,3,5,12H2,2H3/b9-6-
InChIKeyLIDQKQXBVKMERN-TWGQIWQCSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.02
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'}

Analyze 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-ethylphenyl)methyl 2-methylprop-2-enoate
CID 22748890
bis[(2-ethylphenyl)methyl] hexanedioate
CID 69430210
1,2-diethylbenzene;silyloxysilane
CID 158803052
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588
1-[(3Z)-hexa-1,3,5-trien-2-yl]-2-propylbenzene
CID 145354359
ethyl 2-[(3Z)-hexa-1,3,5-trien-2-yl]oxycarbonyloxybenzoate
CID 142219479
1,2-diethylbenzene;formamide
CID 157370947
1,2-diethylbenzene;hydrobromide
CID 174973685
(2-ethylphenyl)methyl 3-[3-[(2-ethylphenyl)methoxy]-3-oxopropyl]sulfanylpropanoate
CID 154411294
ethane;[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxymethylbenzene;propanal
CID 142817556
ethylbenzene;(3Z)-5-methylideneocta-1,3-diene
CID 142937087
1,2-diethylbenzene;2-methylidenepropanedioic acid
CID 174498870

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene?
The IUPAC name of 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene (CID 142927052) is 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene.
What is the SMILES notation for 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene?
The canonical SMILES for 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene is C=C/C=C\C(=C)OCc1ccccc1CC.
What is the InChIKey of 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene?
The InChIKey is LIDQKQXBVKMERN-TWGQIWQCSA-N. The full InChI is InChI=1S/C15H18O/c1-4-6-9-13(3)16-12-15-11-8-7-10-14(15)5-2/h4,6-11H,1,3,5,12H2,2H3/b9-6-.
What are the key properties of 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene?
1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene has a molecular weight of 214.31 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[(3Z)-hexa-1,3,5-trien-2-yl]oxymethyl]benzene is sourced from PubChem (CID 142927052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).