CID 169190312

C12H17AlO2 — CID 169190312

IUPAC—
SMILESCCOCc1ccc(COCC[Al])cc1
InChIInChI=1S/C12H17O2.Al/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2;/h5-8H,1,3-4,9-10H2,2H3;
InChIKeyKOLQDDMVDSMHDP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.33
Rot. Bonds7

About CID 169190312

CID 169190312 (PubChem CID 169190312) has the molecular formula C12H17AlO2 and a molecular weight of 220.25 g/mol.

Molecular Properties

Compound NameCID 169190312
PubChem CID169190312
Molecular FormulaC12H17AlO2
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name—
SMILESCCOCc1ccc(COCC[Al])cc1
InChIInChI=1S/C12H17O2.Al/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2;/h5-8H,1,3-4,9-10H2,2H3;
InChIKeyKOLQDDMVDSMHDP-UHFFFAOYSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 169190312 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

1-(ethoxymethyl)-4-methylbenzene
CID 12727419
[4-(ethoxymethyl)phenyl]methoxymethanol
CID 144565304
(213C)ethoxymethylbenzene
CID 87947851
4-(3-ethoxypropoxymethyl)aniline
CID 65176442
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407
1-(ethoxymethyl)-4-ethynylbenzene
CID 86643750
1-[4-(ethoxymethyl)phenyl]propane-2-thiol
CID 147719423
1-[4-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
2-[4-(ethoxymethyl)phenyl]propan-2-ol
CID 129179722
4-(ethoxymethyl)-N-ethylaniline;molecular hydrogen
CID 145302198
ethoxymethylbenzene;propylbenzene
CID 174975433
1-ethoxy-4-[(4-ethoxyphenyl)methoxymethyl]benzene
CID 123874930

Frequently Asked Questions

What is the IUPAC name of CID 169190312?
The IUPAC name of CID 169190312 (CID 169190312) is not available.
What is the SMILES notation for CID 169190312?
The canonical SMILES for CID 169190312 is CCOCc1ccc(COCC[Al])cc1.
What is the InChIKey of CID 169190312?
The InChIKey is KOLQDDMVDSMHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2.Al/c1-3-13-9-11-5-7-12(8-6-11)10-14-4-2;/h5-8H,1,3-4,9-10H2,2H3;.
What are the key properties of CID 169190312?
CID 169190312 has a molecular weight of 220.25 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169190312 is sourced from PubChem (CID 169190312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).