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

C20H21ClO4 — CID 14570907

IUPAC7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1
InChIInChI=1S/C20H21ClO4/c1-12-17(10-13-5-7-15(24-2)8-6-13)25-20-16(21)11-14(4-3-9-22)19(23)18(12)20/h5-8,11,22-23H,3-4,9-10H2,1-2H3
InChIKeySYIHQALWEIPVRL-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.62
Rot. Bonds6

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

7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (PubChem CID 14570907) has the molecular formula C20H21ClO4 and a molecular weight of 360.84 g/mol. Its IUPAC name is 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
PubChem CID14570907
Molecular FormulaC20H21ClO4
Molecular Weight360.84 g/mol
Exact Mass360.11
IUPAC Name7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol
SMILESCOc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1
InChIInChI=1S/C20H21ClO4/c1-12-17(10-13-5-7-15(24-2)8-6-13)25-20-16(21)11-14(4-3-9-22)19(23)18(12)20/h5-8,11,22-23H,3-4,9-10H2,1-2H3
InChIKeySYIHQALWEIPVRL-UHFFFAOYSA-N
XLogP4.62
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol (CID 14570907) is 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is COc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1.
What is the InChIKey of 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
The InChIKey is SYIHQALWEIPVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClO4/c1-12-17(10-13-5-7-15(24-2)8-6-13)25-20-16(21)11-14(4-3-9-22)19(23)18(12)20/h5-8,11,22-23H,3-4,9-10H2,1-2H3.
What are the key properties of 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol?
7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol has a molecular weight of 360.84 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(3-hydroxypropyl)-2-[(4-methoxyphenyl)methyl]-3-methyl-1-benzofuran-4-ol is sourced from PubChem (CID 14570907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).