carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene

C12H13Cl3O3 — CID 88752669

IUPACcarbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene
SMILESCCOc1ccc(C2CC2(Cl)Cl)cc1.O=C(O)Cl
InChIInChI=1S/C11H12Cl2O.CHClO2/c1-2-14-9-5-3-8(4-6-9)10-7-11(10,12)13;2-1(3)4/h3-6,10H,2,7H2,1H3;(H,3,4)
InChIKeyIWGPANTZYOUPJQ-UHFFFAOYSA-N
MW311.59 g/mol
LogP4.65
Rot. Bonds3

About carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene

carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene (PubChem CID 88752669) has the molecular formula C12H13Cl3O3 and a molecular weight of 311.59 g/mol. Its IUPAC name is carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene.

Molecular Properties

Compound Namecarbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene
PubChem CID88752669
Molecular FormulaC12H13Cl3O3
Molecular Weight311.59 g/mol
Exact Mass309.99
IUPAC Namecarbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene
SMILESCCOc1ccc(C2CC2(Cl)Cl)cc1.O=C(O)Cl
InChIInChI=1S/C11H12Cl2O.CHClO2/c1-2-14-9-5-3-8(4-6-9)10-7-11(10,12)13;2-1(3)4/h3-6,10H,2,7H2,1H3;(H,3,4)
InChIKeyIWGPANTZYOUPJQ-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.59
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene 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-(4-ethoxyphenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82114341
trans-(1R,2R)-2-(4-ethoxyphenyl)cyclopropane-1-carboxylic acid
CID 39058010
trans-(1S,3S)-3-(4-ethoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768881
1,4-bis(2,2-dichlorocyclopropyl)benzene
CID 15253917
[2-(4-ethoxyphenyl)cyclopropyl]-phenylmethanone
CID 14939960
1-(1-adamantyl)-2-(4-ethoxyphenyl)ethane-1,2-dione
CID 69109478
3-[[2-[4-(2,2-dichlorocyclopropyl)phenoxy]-2-methylpropanoyl]amino]propanoic acid
CID 11068377
3-(4-ethoxyphenyl)-2-ethylcyclobutan-1-ol
CID 81416198
trans-(1R,2S)-2-[1-[(4-ethoxyphenyl)methyl]azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 167963367
4-(4-ethoxyphenyl)cyclohexene-1-carboxylic acid
CID 82295233
1-(4-ethoxyphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 116855429
2-chloroacetic acid;ethoxybenzene
CID 174963019

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene?
The IUPAC name of carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene (CID 88752669) is carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene.
What is the SMILES notation for carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene?
The canonical SMILES for carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene is CCOc1ccc(C2CC2(Cl)Cl)cc1.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene?
The InChIKey is IWGPANTZYOUPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O.CHClO2/c1-2-14-9-5-3-8(4-6-9)10-7-11(10,12)13;2-1(3)4/h3-6,10H,2,7H2,1H3;(H,3,4).
What are the key properties of carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene?
carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene has a molecular weight of 311.59 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;1-(2,2-dichlorocyclopropyl)-4-ethoxybenzene is sourced from PubChem (CID 88752669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).