4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde

C18H18O3 — CID 15574386

IUPAC4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
SMILESC=CCc1c(C=O)ccc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H18O3/c1-3-7-16-15(12-19)10-11-17(20-2)18(16)21-13-14-8-5-4-6-9-14/h3-6,8-12H,1,7,13H2,2H3
InChIKeyICDUFIZDVCWPDP-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.82
Rot. Bonds7

About 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde

4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde (PubChem CID 15574386) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
PubChem CID15574386
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
SMILESC=CCc1c(C=O)ccc(OC)c1OCc1ccccc1
InChIInChI=1S/C18H18O3/c1-3-7-16-15(12-19)10-11-17(20-2)18(16)21-13-14-8-5-4-6-9-14/h3-6,8-12H,1,7,13H2,2H3
InChIKeyICDUFIZDVCWPDP-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
2-amino-3-methoxy-4-phenylmethoxybenzaldehyde
CID 137428196
5-ethyl-2-phenylmethoxy-3-prop-2-enylbenzaldehyde
CID 22039321
3-(5-formyl-3-methoxy-2-phenylmethoxyphenoxy)-5-methoxy-4-phenylmethoxybenzaldehyde
CID 102236097
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
6-methoxy-5-phenylmethoxy-3H-quinazolin-4-one
CID 135830914
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
7-methoxy-2-(4-phenylmethoxyphenyl)-1-benzofuran-4-carbaldehyde
CID 86028919
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
3,4,6-trimethoxy-2-phenylmethoxybenzaldehyde
CID 57327464

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
The IUPAC name of 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde (CID 15574386) is 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde.
What is the SMILES notation for 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
The canonical SMILES for 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde is C=CCc1c(C=O)ccc(OC)c1OCc1ccccc1.
What is the InChIKey of 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
The InChIKey is ICDUFIZDVCWPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-7-16-15(12-19)10-11-17(20-2)18(16)21-13-14-8-5-4-6-9-14/h3-6,8-12H,1,7,13H2,2H3.
What are the key properties of 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde?
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde has a molecular weight of 282.34 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde is sourced from PubChem (CID 15574386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).