ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde

C17H20O3 — CID 143820051

IUPACethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
SMILESCC.COc1ccc(Oc2ccc(C)cc2C=O)cc1
InChIInChI=1S/C15H14O3.C2H6/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14;1-2/h3-10H,1-2H3;1-2H3
InChIKeyQHIJCPKMQSGOAY-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.63
Rot. Bonds4

About ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde

ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde (PubChem CID 143820051) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde.

Molecular Properties

Compound Nameethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
PubChem CID143820051
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde
SMILESCC.COc1ccc(Oc2ccc(C)cc2C=O)cc1
InChIInChI=1S/C15H14O3.C2H6/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14;1-2/h3-10H,1-2H3;1-2H3
InChIKeyQHIJCPKMQSGOAY-UHFFFAOYSA-N
XLogP4.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-(2-formyl-4-methylphenoxy)benzonitrile
CID 143820055
2-(4-methoxyphenoxy)-5-nitrobenzaldehyde
CID 43113892
2-[(4-methoxy-6-methyl-2-pyridinyl)methoxy]-5-methylbenzaldehyde
CID 82893166
2-(4-methoxy-2-methylphenyl)-5-methylbenzaldehyde
CID 172649146
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
2-(4,5-difluoro-2-methylphenoxy)-5-methylbenzaldehyde
CID 114276745
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
4-(2-bromo-4-methylphenoxy)-2-chlorobenzaldehyde
CID 114064174
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
2-(2,3-dichlorophenoxy)-5-methylbenzaldehyde
CID 114054289

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde?
The IUPAC name of ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde (CID 143820051) is ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde.
What is the SMILES notation for ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde?
The canonical SMILES for ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde is CC.COc1ccc(Oc2ccc(C)cc2C=O)cc1.
What is the InChIKey of ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde?
The InChIKey is QHIJCPKMQSGOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C2H6/c1-11-3-8-15(12(9-11)10-16)18-14-6-4-13(17-2)5-7-14;1-2/h3-10H,1-2H3;1-2H3.
What are the key properties of ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde?
ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde has a molecular weight of 272.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methoxyphenoxy)-5-methylbenzaldehyde is sourced from PubChem (CID 143820051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).