7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran

C20H19ClO3 — CID 19910737

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran
SMILESC=CCOc1ccc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c12
InChIInChI=1S/C20H19ClO3/c1-4-11-23-17-10-9-16(21)20-19(17)13(2)18(24-20)12-14-5-7-15(22-3)8-6-14/h4-10H,1,11-12H2,2-3H3
InChIKeyJQPUSXCSILAHDC-UHFFFAOYSA-N
MW342.82 g/mol
LogP5.56
Rot. Bonds6

About 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran

7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran (PubChem CID 19910737) has the molecular formula C20H19ClO3 and a molecular weight of 342.82 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran
PubChem CID19910737
Molecular FormulaC20H19ClO3
Molecular Weight342.82 g/mol
Exact Mass342.10
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran
SMILESC=CCOc1ccc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c12
InChIInChI=1S/C20H19ClO3/c1-4-11-23-17-10-9-16(21)20-19(17)13(2)18(24-20)12-14-5-7-15(22-3)8-6-14/h4-10H,1,11-12H2,2-3H3
InChIKeyJQPUSXCSILAHDC-UHFFFAOYSA-N
XLogP5.56
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.82
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-methoxy-2-prop-2-enoxybenzene
CID 20701294
N-[(3-chloro-4-prop-2-enoxyphenyl)methyl]-4-methoxyaniline
CID 126127925
1-bromo-4-chloro-5-[(4-ethoxyphenyl)methyl]-2-prop-2-enoxybenzene
CID 86728582
(4-methoxyphenyl)methyl-[(4-prop-2-enoxyphenyl)methyl]azanium
CID 8636099
4-methoxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methyl]aniline
CID 66525608
(5-bromo-2-chloro-4-prop-2-enoxyphenyl)-(4-methoxyphenyl)methanol
CID 68554778
(3-ethoxy-4-prop-2-enoxyphenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 7380519
1-(4-methoxyphenyl)-N-[(2-prop-2-enoxyphenyl)methyl]methanamine
CID 43220519
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
4-(chloromethyl)-2-methyl-1-prop-2-enoxybenzene
CID 22242077
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
2-ethyl-5-[(4-methoxyphenyl)methyl]-3-methylfuran
CID 25243035

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran (CID 19910737) is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran is C=CCOc1ccc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c12.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran?
The InChIKey is JQPUSXCSILAHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO3/c1-4-11-23-17-10-9-16(21)20-19(17)13(2)18(24-20)12-14-5-7-15(22-3)8-6-14/h4-10H,1,11-12H2,2-3H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran?
7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran has a molecular weight of 342.82 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-4-prop-2-enoxy-1-benzofuran is sourced from PubChem (CID 19910737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).