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

C20H23ClO3 — CID 15160979

IUPAC7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2c(c1O)C(C)C(Cc1ccc(OC)cc1)O2
InChIInChI=1S/C20H23ClO3/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/h6-9,11-12,17,22H,4-5,10H2,1-3H3
InChIKeyVSLLNGYXZIKKLY-UHFFFAOYSA-N
MW346.85 g/mol
LogP5.11
Rot. Bonds5

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

7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol (PubChem CID 15160979) has the molecular formula C20H23ClO3 and a molecular weight of 346.85 g/mol. Its IUPAC name is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol.

Molecular Properties

Compound Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol
PubChem CID15160979
Molecular FormulaC20H23ClO3
Molecular Weight346.85 g/mol
Exact Mass346.13
IUPAC Name7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol
SMILESCCCc1cc(Cl)c2c(c1O)C(C)C(Cc1ccc(OC)cc1)O2
InChIInChI=1S/C20H23ClO3/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/h6-9,11-12,17,22H,4-5,10H2,1-3H3
InChIKeyVSLLNGYXZIKKLY-UHFFFAOYSA-N
XLogP5.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.85
LogP ≤ 55.11
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]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol?
The IUPAC name of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol (CID 15160979) is 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol.
What is the SMILES notation for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol?
The canonical SMILES for 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol is CCCc1cc(Cl)c2c(c1O)C(C)C(Cc1ccc(OC)cc1)O2.
What is the InChIKey of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol?
The InChIKey is VSLLNGYXZIKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClO3/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/h6-9,11-12,17,22H,4-5,10H2,1-3H3.
What are the key properties of 7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol?
7-chloro-2-[(4-methoxyphenyl)methyl]-3-methyl-5-propyl-2,3-dihydro-1-benzofuran-4-ol has a molecular weight of 346.85 g/mol, XLogP of 5.11, 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-propyl-2,3-dihydro-1-benzofuran-4-ol is sourced from PubChem (CID 15160979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).