1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene

C14H18O — CID 101273970

IUPAC1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene
SMILESC/C=C1\CC1CCc1ccc(OC)cc1
InChIInChI=1S/C14H18O/c1-3-12-10-13(12)7-4-11-5-8-14(15-2)9-6-11/h3,5-6,8-9,13H,4,7,10H2,1-2H3/b12-3+
InChIKeyUHDRBSCZJIXLEX-KGVSQERTSA-N
MW202.30 g/mol
LogP3.59
Rot. Bonds4

About 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene

1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene (PubChem CID 101273970) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene
PubChem CID101273970
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene
SMILESC/C=C1\CC1CCc1ccc(OC)cc1
InChIInChI=1S/C14H18O/c1-3-12-10-13(12)7-4-11-5-8-14(15-2)9-6-11/h3,5-6,8-9,13H,4,7,10H2,1-2H3/b12-3+
InChIKeyUHDRBSCZJIXLEX-KGVSQERTSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene 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

(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
6-[2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-1,3-diazinane-2,4-dione
CID 135069719
2-[2-(4-methoxyphenyl)ethyl]adamantane
CID 158701742
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
3-[2-(4-methoxyphenyl)ethyl]pyrrolidine-1-carboxylic acid
CID 69258628
4-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 106779335
4-methoxy-2-[2-(4-methoxyphenyl)ethyl]-3,6-dihydro-2H-pyran-6-ol
CID 134508325
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
ethane;1-methoxy-4-propylbenzene
CID 142085762
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
(2S,4E)-4-ethylidene-1-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 132555225

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene?
The IUPAC name of 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene (CID 101273970) is 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene.
What is the SMILES notation for 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene?
The canonical SMILES for 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene is C/C=C1\CC1CCc1ccc(OC)cc1.
What is the InChIKey of 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene?
The InChIKey is UHDRBSCZJIXLEX-KGVSQERTSA-N. The full InChI is InChI=1S/C14H18O/c1-3-12-10-13(12)7-4-11-5-8-14(15-2)9-6-11/h3,5-6,8-9,13H,4,7,10H2,1-2H3/b12-3+.
What are the key properties of 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene?
1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2E)-2-ethylidenecyclopropyl]ethyl]-4-methoxybenzene is sourced from PubChem (CID 101273970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).