7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol

C19H19ClO3 — CID 14570906

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)cc2c1O
InChIInChI=1S/C19H19ClO3/c1-3-4-13-10-17(20)19-16(18(13)21)11-15(23-19)9-12-5-7-14(22-2)8-6-12/h5-8,10-11,21H,3-4,9H2,1-2H3
InChIKeyBKVMJBMPKFQQEY-UHFFFAOYSA-N
MW330.81 g/mol
LogP5.34
Rot. Bonds5

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

7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol (PubChem CID 14570906) has the molecular formula C19H19ClO3 and a molecular weight of 330.81 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol
PubChem CID14570906
Molecular FormulaC19H19ClO3
Molecular Weight330.81 g/mol
Exact Mass330.10
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)cc2c1O
InChIInChI=1S/C19H19ClO3/c1-3-4-13-10-17(20)19-16(18(13)21)11-15(23-19)9-12-5-7-14(22-2)8-6-12/h5-8,10-11,21H,3-4,9H2,1-2H3
InChIKeyBKVMJBMPKFQQEY-UHFFFAOYSA-N
XLogP5.34
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.81
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol (CID 14570906) is 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol is CCCc1cc(Cl)c2oc(Cc3ccc(OC)cc3)cc2c1O.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol?
The InChIKey is BKVMJBMPKFQQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO3/c1-3-4-13-10-17(20)19-16(18(13)21)11-15(23-19)9-12-5-7-14(22-2)8-6-12/h5-8,10-11,21H,3-4,9H2,1-2H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol?
7-chloro-2-[(4-methoxyphenyl)methyl]-5-propyl-1-benzofuran-4-ol has a molecular weight of 330.81 g/mol, XLogP of 5.34, 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]-5-propyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).