1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene

C21H24O3 — CID 23247258

IUPAC1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
SMILESC=CCOCc1ccc(OC)c(OCc2ccccc2)c1CC=C
InChIInChI=1S/C21H24O3/c1-4-9-19-18(16-23-14-5-2)12-13-20(22-3)21(19)24-15-17-10-7-6-8-11-17/h4-8,10-13H,1-2,9,14-16H2,3H3
InChIKeyXFFVJLPYFJWTGJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.71
Rot. Bonds10

About 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene

1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene (PubChem CID 23247258) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
PubChem CID23247258
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
SMILESC=CCOCc1ccc(OC)c(OCc2ccccc2)c1CC=C
InChIInChI=1S/C21H24O3/c1-4-9-19-18(16-23-14-5-2)12-13-20(22-3)21(19)24-15-17-10-7-6-8-11-17/h4-8,10-13H,1-2,9,14-16H2,3H3
InChIKeyXFFVJLPYFJWTGJ-UHFFFAOYSA-N
XLogP4.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
4-methoxy-2-phenylmethoxy-1-prop-2-enylbenzene
CID 68966556
6-methoxy-3-phenylmethoxy-4-prop-2-enyltricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 68584813
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
N-[2-(3,4-dimethoxy-2-prop-2-enylphenyl)ethyl]benzenesulfonamide
CID 71497480
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 6459446
1,3-dimethoxy-2-[(E)-4-phenylmethoxybut-2-enoxy]benzene
CID 100938911
4-phenylmethoxy-1-prop-2-enoxy-2-prop-2-enylbenzene
CID 22261130
3-but-3-en-2-yl-2-ethoxy-1-methoxy-4-(prop-2-enoxymethyl)benzene
CID 23247260
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
CID 141015234

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene?
The IUPAC name of 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene (CID 23247258) is 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene.
What is the SMILES notation for 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene?
The canonical SMILES for 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene is C=CCOCc1ccc(OC)c(OCc2ccccc2)c1CC=C.
What is the InChIKey of 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene?
The InChIKey is XFFVJLPYFJWTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-4-9-19-18(16-23-14-5-2)12-13-20(22-3)21(19)24-15-17-10-7-6-8-11-17/h4-8,10-13H,1-2,9,14-16H2,3H3.
What are the key properties of 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene?
1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene has a molecular weight of 324.42 g/mol, XLogP of 4.71, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene is sourced from PubChem (CID 23247258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).