ethane;5-methyl-2-phenylmethoxybenzaldehyde

C17H20O2 — CID 142857349

IUPACethane;5-methyl-2-phenylmethoxybenzaldehyde
SMILESCC.Cc1ccc(OCc2ccccc2)c(C=O)c1
InChIInChI=1S/C15H14O2.C2H6/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13;1-2/h2-10H,11H2,1H3;1-2H3
InChIKeyKDSJDDLBVSPAAH-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.41
Rot. Bonds4

About ethane;5-methyl-2-phenylmethoxybenzaldehyde

ethane;5-methyl-2-phenylmethoxybenzaldehyde (PubChem CID 142857349) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is ethane;5-methyl-2-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Nameethane;5-methyl-2-phenylmethoxybenzaldehyde
PubChem CID142857349
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Nameethane;5-methyl-2-phenylmethoxybenzaldehyde
SMILESCC.Cc1ccc(OCc2ccccc2)c(C=O)c1
InChIInChI=1S/C15H14O2.C2H6/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13;1-2/h2-10H,11H2,1H3;1-2H3
InChIKeyKDSJDDLBVSPAAH-UHFFFAOYSA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.41
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

5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
2-[(3-chlorophenyl)methoxy]-5-methylbenzaldehyde
CID 55206091
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
5-methyl-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 63324438
5-methyl-2-[(4-propan-2-ylphenyl)methoxy]benzaldehyde
CID 63529851
5-methyl-2-(2-phenoxyethoxy)benzaldehyde
CID 54794871
2-[(4-methylphenyl)methoxy]benzaldehyde
CID 693304
2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
5-chloro-2-[(4-methylphenyl)methoxy]benzaldehyde
CID 892242
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-phenylmethoxybenzaldehyde?
The IUPAC name of ethane;5-methyl-2-phenylmethoxybenzaldehyde (CID 142857349) is ethane;5-methyl-2-phenylmethoxybenzaldehyde.
What is the SMILES notation for ethane;5-methyl-2-phenylmethoxybenzaldehyde?
The canonical SMILES for ethane;5-methyl-2-phenylmethoxybenzaldehyde is CC.Cc1ccc(OCc2ccccc2)c(C=O)c1.
What is the InChIKey of ethane;5-methyl-2-phenylmethoxybenzaldehyde?
The InChIKey is KDSJDDLBVSPAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2.C2H6/c1-12-7-8-15(14(9-12)10-16)17-11-13-5-3-2-4-6-13;1-2/h2-10H,11H2,1H3;1-2H3.
What are the key properties of ethane;5-methyl-2-phenylmethoxybenzaldehyde?
ethane;5-methyl-2-phenylmethoxybenzaldehyde has a molecular weight of 256.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-phenylmethoxybenzaldehyde is sourced from PubChem (CID 142857349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).