1-chloro-4-(1-cyclobutylideneethoxy)benzene

C12H13ClO — CID 171524115

IUPAC1-chloro-4-(1-cyclobutylideneethoxy)benzene
SMILESCC(Oc1ccc(Cl)cc1)=C1CCC1
InChIInChI=1S/C12H13ClO/c1-9(10-3-2-4-10)14-12-7-5-11(13)6-8-12/h5-8H,2-4H2,1H3
InChIKeyITJHGYATWNFLMP-UHFFFAOYSA-N
MW208.69 g/mol
LogP4.18
Rot. Bonds2

About 1-chloro-4-(1-cyclobutylideneethoxy)benzene

1-chloro-4-(1-cyclobutylideneethoxy)benzene (PubChem CID 171524115) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-chloro-4-(1-cyclobutylideneethoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-cyclobutylideneethoxy)benzene
PubChem CID171524115
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name1-chloro-4-(1-cyclobutylideneethoxy)benzene
SMILESCC(Oc1ccc(Cl)cc1)=C1CCC1
InChIInChI=1S/C12H13ClO/c1-9(10-3-2-4-10)14-12-7-5-11(13)6-8-12/h5-8H,2-4H2,1H3
InChIKeyITJHGYATWNFLMP-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-4-(1-cyclobutylideneethoxy)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

4-(1-cyclobutylideneethoxy)phenol
CID 171524220
(4-chlorophenyl) acetate
CID 13410
1-[(E)-but-2-en-2-yl]oxy-4-chlorobenzene
CID 143390143
(4-chlorophenyl) 2-oxopropanoate
CID 22420053
bis(4-chlorophenoxy)methanimine
CID 15716338
[4-[1,2-dibromo-2-(4-chlorophenyl)ethyl]phenyl] acetate
CID 10622623
(NE,1E)-N-[chloro-(4-chlorophenoxy)methylidene]-1-(4-chlorophenoxy)methanehydrazonoyl chloride
CID 11326398
methyl 2-[(4-chlorophenoxy)carbonylamino]-3-oxobutanoate
CID 139842672
(4-chlorophenyl) 2-methoxyacetate
CID 849221
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
(4-chlorophenyl) N-(2-methylprop-2-enoyl)carbamate
CID 59518611
[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234412

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-cyclobutylideneethoxy)benzene?
The IUPAC name of 1-chloro-4-(1-cyclobutylideneethoxy)benzene (CID 171524115) is 1-chloro-4-(1-cyclobutylideneethoxy)benzene.
What is the SMILES notation for 1-chloro-4-(1-cyclobutylideneethoxy)benzene?
The canonical SMILES for 1-chloro-4-(1-cyclobutylideneethoxy)benzene is CC(Oc1ccc(Cl)cc1)=C1CCC1.
What is the InChIKey of 1-chloro-4-(1-cyclobutylideneethoxy)benzene?
The InChIKey is ITJHGYATWNFLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c1-9(10-3-2-4-10)14-12-7-5-11(13)6-8-12/h5-8H,2-4H2,1H3.
What are the key properties of 1-chloro-4-(1-cyclobutylideneethoxy)benzene?
1-chloro-4-(1-cyclobutylideneethoxy)benzene has a molecular weight of 208.69 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-cyclobutylideneethoxy)benzene is sourced from PubChem (CID 171524115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).