7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol

C20H19ClO3 — CID 14570905

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol
SMILESC=CCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
InChIInChI=1S/C20H19ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h4,6-9,11,22H,1,5,10H2,2-3H3
InChIKeyNIEQFCKDVGTXAV-UHFFFAOYSA-N
MW342.82 g/mol
LogP5.43
Rot. Bonds5

About 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol

7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol (PubChem CID 14570905) 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-5-prop-2-enyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol
PubChem CID14570905
Molecular FormulaC20H19ClO3
Molecular Weight342.82 g/mol
Exact Mass342.10
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol
SMILESC=CCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O
InChIInChI=1S/C20H19ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h4,6-9,11,22H,1,5,10H2,2-3H3
InChIKeyNIEQFCKDVGTXAV-UHFFFAOYSA-N
XLogP5.43
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.82
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol (CID 14570905) is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol is C=CCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)c(C)c2c1O.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol?
The InChIKey is NIEQFCKDVGTXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO3/c1-4-5-14-11-16(21)20-18(19(14)22)12(2)17(24-20)10-13-6-8-15(23-3)9-7-13/h4,6-9,11,22H,1,5,10H2,2-3H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol?
7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-prop-2-enyl-1-benzofuran-4-ol has a molecular weight of 342.82 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 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-5-prop-2-enyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).