ethane;4-(2-methylpropoxy)benzaldehyde

C13H20O2 — CID 143325995

IUPACethane;4-(2-methylpropoxy)benzaldehyde
SMILESCC.CC(C)COc1ccc(C=O)cc1
InChIInChI=1S/C11H14O2.C2H6/c1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3
InChIKeyVZADEDLTJXYXCN-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.56
Rot. Bonds4

About ethane;4-(2-methylpropoxy)benzaldehyde

ethane;4-(2-methylpropoxy)benzaldehyde (PubChem CID 143325995) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is ethane;4-(2-methylpropoxy)benzaldehyde.

Molecular Properties

Compound Nameethane;4-(2-methylpropoxy)benzaldehyde
PubChem CID143325995
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Nameethane;4-(2-methylpropoxy)benzaldehyde
SMILESCC.CC(C)COc1ccc(C=O)cc1
InChIInChI=1S/C11H14O2.C2H6/c1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3
InChIKeyVZADEDLTJXYXCN-UHFFFAOYSA-N
XLogP3.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(2-methylpropoxy)phenyl]methoxy]benzaldehyde
CID 87616141
4-[(2R)-3-(dimethylamino)-2-methylpropoxy]benzaldehyde
CID 92914884
4-(2-hydroxybutoxy)benzaldehyde
CID 60885218
1-(3-bromoprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 169476628
1-(2-methylprop-1-enyl)-4-(2-methylpropoxy)benzene
CID 20609364
4-(2,2,3-trimethylbutoxy)benzaldehyde
CID 166913587
3-[4-(2-methylpropoxy)phenyl]prop-2-en-1-amine
CID 169464663
3-[4-(2-methylpropoxy)phenyl]prop-2-enoate
CID 4201747
3-[4-(2-methylpropoxy)phenyl]prop-2-enamide
CID 131842632
4-(2-hydroxyhexoxy)benzaldehyde
CID 87847240
4-[3-[4-[2-[4-[3-(4-formylphenoxy)-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropoxy]benzaldehyde
CID 100967393
3-[4-(2-methylpropoxy)phenyl]prop-2-enenitrile
CID 169484500

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylpropoxy)benzaldehyde?
The IUPAC name of ethane;4-(2-methylpropoxy)benzaldehyde (CID 143325995) is ethane;4-(2-methylpropoxy)benzaldehyde.
What is the SMILES notation for ethane;4-(2-methylpropoxy)benzaldehyde?
The canonical SMILES for ethane;4-(2-methylpropoxy)benzaldehyde is CC.CC(C)COc1ccc(C=O)cc1.
What is the InChIKey of ethane;4-(2-methylpropoxy)benzaldehyde?
The InChIKey is VZADEDLTJXYXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C2H6/c1-9(2)8-13-11-5-3-10(7-12)4-6-11;1-2/h3-7,9H,8H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-methylpropoxy)benzaldehyde?
ethane;4-(2-methylpropoxy)benzaldehyde has a molecular weight of 208.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylpropoxy)benzaldehyde is sourced from PubChem (CID 143325995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).