1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol

C18H18O3 — CID 65447175

IUPAC1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H18O3/c1-20-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-3-5-17(14)21-18/h2-7,9-10,12,16,19H,8,11H2,1H3
InChIKeyHFIMGOYJCKKJDN-UHFFFAOYSA-N
MW282.34 g/mol
LogP4.11
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol

1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol (PubChem CID 65447175) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
PubChem CID65447175
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol
SMILESCOc1ccc(CCC(O)c2cc3ccccc3o2)cc1
InChIInChI=1S/C18H18O3/c1-20-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-3-5-17(14)21-18/h2-7,9-10,12,16,19H,8,11H2,1H3
InChIKeyHFIMGOYJCKKJDN-UHFFFAOYSA-N
XLogP4.11
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-bromo-2-(4-methoxyphenyl)ethyl]-1-benzofuran
CID 63542413
(1R)-1-(1-benzofuran-2-yl)butane-1,4-diol
CID 124681415
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 9366106
1-(1-benzofuran-2-yl)heptan-1-ol
CID 63089894
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
methyl 5-[1-hydroxy-3-(4-methoxyphenyl)propyl]furan-2-carboxylate
CID 106947014
N-[1-(1-benzofuran-2-yl)ethyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 46551191
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757
1-(1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 63091128
1-(1-benzofuran-2-yl)-2-(4-bromophenyl)ethanol
CID 63017494
1-(1-benzofuran-2-yl)-2-(4-iodophenyl)ethanol
CID 65477865
3-(4-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 115803243

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol (CID 65447175) is 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol is COc1ccc(CCC(O)c2cc3ccccc3o2)cc1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
The InChIKey is HFIMGOYJCKKJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-20-15-9-6-13(7-10-15)8-11-16(19)18-12-14-4-2-3-5-17(14)21-18/h2-7,9-10,12,16,19H,8,11H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol?
1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol has a molecular weight of 282.34 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 65447175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).