ethane;2-ethoxy-3-phenylmethoxybenzaldehyde

C18H22O3 — CID 143384365

IUPACethane;2-ethoxy-3-phenylmethoxybenzaldehyde
SMILESCC.CCOc1c(C=O)cccc1OCc1ccccc1
InChIInChI=1S/C16H16O3.C2H6/c1-2-18-16-14(11-17)9-6-10-15(16)19-12-13-7-4-3-5-8-13;1-2/h3-11H,2,12H2,1H3;1-2H3
InChIKeyNQZCKPGLJQOZAG-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.50
Rot. Bonds6

About ethane;2-ethoxy-3-phenylmethoxybenzaldehyde

ethane;2-ethoxy-3-phenylmethoxybenzaldehyde (PubChem CID 143384365) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethane;2-ethoxy-3-phenylmethoxybenzaldehyde.

Molecular Properties

Compound Nameethane;2-ethoxy-3-phenylmethoxybenzaldehyde
PubChem CID143384365
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Nameethane;2-ethoxy-3-phenylmethoxybenzaldehyde
SMILESCC.CCOc1c(C=O)cccc1OCc1ccccc1
InChIInChI=1S/C16H16O3.C2H6/c1-2-18-16-14(11-17)9-6-10-15(16)19-12-13-7-4-3-5-8-13;1-2/h3-11H,2,12H2,1H3;1-2H3
InChIKeyNQZCKPGLJQOZAG-UHFFFAOYSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.50
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

3-(2-methoxyethoxy)-2-phenylmethoxybenzaldehyde
CID 155923644
3-ethoxy-2-(3-phenylpropoxy)benzaldehyde
CID 43366508
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
3-ethoxy-2-(2-phenylsulfanylethoxy)benzaldehyde
CID 79227554
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
2-[ethoxy(methoxy)methyl]-3-phenylmethoxybenzaldehyde
CID 176998146
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethoxy-3-phenylmethoxybenzaldehyde?
The IUPAC name of ethane;2-ethoxy-3-phenylmethoxybenzaldehyde (CID 143384365) is ethane;2-ethoxy-3-phenylmethoxybenzaldehyde.
What is the SMILES notation for ethane;2-ethoxy-3-phenylmethoxybenzaldehyde?
The canonical SMILES for ethane;2-ethoxy-3-phenylmethoxybenzaldehyde is CC.CCOc1c(C=O)cccc1OCc1ccccc1.
What is the InChIKey of ethane;2-ethoxy-3-phenylmethoxybenzaldehyde?
The InChIKey is NQZCKPGLJQOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3.C2H6/c1-2-18-16-14(11-17)9-6-10-15(16)19-12-13-7-4-3-5-8-13;1-2/h3-11H,2,12H2,1H3;1-2H3.
What are the key properties of ethane;2-ethoxy-3-phenylmethoxybenzaldehyde?
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde has a molecular weight of 286.37 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethoxy-3-phenylmethoxybenzaldehyde is sourced from PubChem (CID 143384365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).