2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene

C12H15ClO2 — CID 171624959

IUPAC2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene
SMILESCCOc1ccc(C/C=C/OC)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-3-15-12-7-6-10(9-11(12)13)5-4-8-14-2/h4,6-9H,3,5H2,1-2H3/b8-4+
InChIKeyCQCSAWQPDUPWBN-XBXARRHUSA-N
MW226.70 g/mol
LogP3.44
Rot. Bonds5

About 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene

2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene (PubChem CID 171624959) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene.

Molecular Properties

Compound Name2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene
PubChem CID171624959
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene
SMILESCCOc1ccc(C/C=C/OC)cc1Cl
InChIInChI=1S/C12H15ClO2/c1-3-15-12-7-6-10(9-11(12)13)5-4-8-14-2/h4,6-9H,3,5H2,1-2H3/b8-4+
InChIKeyCQCSAWQPDUPWBN-XBXARRHUSA-N
XLogP3.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]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-chloro-4-[2-[1-(3-chloro-4-ethoxyphenyl)-2-methylpropan-2-yl]oxy-2-methylpropyl]-1-ethoxybenzene
CID 57051118
3-(3-chloro-4-ethoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170866526
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-methylpropan-2-amine;hydrochloride
CID 17156923
N-[(3-chloro-4-ethoxyphenyl)methyl]prop-2-en-1-amine
CID 17157875
2-(3-chloro-4-ethoxyphenyl)-N-(methoxymethyl)-N-methylethanamine
CID 115259026
3-(3-chloro-4-ethoxyphenyl)propanoic acid
CID 82052851
N-[(3-chloro-4-ethoxyphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 17158567
2-[(3-chloro-4-ethoxyphenyl)methyl]butan-1-ol
CID 116930771
N-(bromomethyl)-2-(3-chloro-4-ethoxyphenyl)ethanamine
CID 115262221
N-[(3-chloro-4-ethoxyphenyl)methyl]carbamoyl chloride
CID 115194640
2-[(3-chloro-4-ethoxyphenyl)methyl]-1-(diaminomethylidene)guanidine;hydrochloride
CID 11957305
N'-[(3-chloro-4-ethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784191

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene?
The IUPAC name of 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene (CID 171624959) is 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene.
What is the SMILES notation for 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene?
The canonical SMILES for 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene is CCOc1ccc(C/C=C/OC)cc1Cl.
What is the InChIKey of 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene?
The InChIKey is CQCSAWQPDUPWBN-XBXARRHUSA-N. The full InChI is InChI=1S/C12H15ClO2/c1-3-15-12-7-6-10(9-11(12)13)5-4-8-14-2/h4,6-9H,3,5H2,1-2H3/b8-4+.
What are the key properties of 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene?
2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene has a molecular weight of 226.70 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-ethoxy-4-[(E)-3-methoxyprop-2-enyl]benzene is sourced from PubChem (CID 171624959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).