4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene

C19H21ClO4 — CID 25215400

IUPAC4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene
SMILESC=CC(OCc1ccc(Cl)cc1)OCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21ClO4/c1-4-19(23-12-14-5-8-16(20)9-6-14)24-13-15-7-10-17(21-2)18(11-15)22-3/h4-11,19H,1,12-13H2,2-3H3
InChIKeySHOHXSUIDJEJDZ-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.60
Rot. Bonds9

About 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene

4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene (PubChem CID 25215400) has the molecular formula C19H21ClO4 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene
PubChem CID25215400
Molecular FormulaC19H21ClO4
Molecular Weight348.83 g/mol
Exact Mass348.11
IUPAC Name4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene
SMILESC=CC(OCc1ccc(Cl)cc1)OCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H21ClO4/c1-4-19(23-12-14-5-8-16(20)9-6-14)24-13-15-7-10-17(21-2)18(11-15)22-3/h4-11,19H,1,12-13H2,2-3H3
InChIKeySHOHXSUIDJEJDZ-UHFFFAOYSA-N
XLogP4.60
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene
CID 102280841
4-(ethenoxymethyl)-1,2-dimethoxybenzene
CID 86205120
3-[(4-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 876941
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-[2-[(4-chlorophenyl)methoxy]-3-(2-methoxy-4-prop-2-enylphenoxy)propyl]imidazole
CID 168679818
(NE)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]hydroxylamine
CID 5350145
dimethyl (2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methoxy]butanedioate
CID 171933870
(E)-3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
CID 91685134
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
1-chloro-4-(propan-2-yloxymethyl)benzene
CID 23548339
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
tert-butyl-[(3R,4R,5R,6R)-6-[(3,4-dimethoxyphenyl)methoxy]-3,5-dimethylhept-1-en-4-yl]oxy-dimethylsilane
CID 11811908

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene?
The IUPAC name of 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene (CID 25215400) is 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene.
What is the SMILES notation for 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene?
The canonical SMILES for 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene is C=CC(OCc1ccc(Cl)cc1)OCc1ccc(OC)c(OC)c1.
What is the InChIKey of 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene?
The InChIKey is SHOHXSUIDJEJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClO4/c1-4-19(23-12-14-5-8-16(20)9-6-14)24-13-15-7-10-17(21-2)18(11-15)22-3/h4-11,19H,1,12-13H2,2-3H3.
What are the key properties of 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene?
4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene has a molecular weight of 348.83 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-chlorophenyl)methoxy]prop-2-enoxymethyl]-1,2-dimethoxybenzene is sourced from PubChem (CID 25215400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).