1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol

C15H15NO2 — CID 115817753

IUPAC1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H15NO2/c1-10-4-5-16-7-14(10)15(17)11-2-3-12-8-18-9-13(12)6-11/h2-7,15,17H,8-9H2,1H3
InChIKeyOJCVTIDJBBIJPP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.50
Rot. Bonds2

About 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol

1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol (PubChem CID 115817753) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
PubChem CID115817753
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol
SMILESCc1ccncc1C(O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H15NO2/c1-10-4-5-16-7-14(10)15(17)11-2-3-12-8-18-9-13(12)6-11/h2-7,15,17H,8-9H2,1H3
InChIKeyOJCVTIDJBBIJPP-UHFFFAOYSA-N
XLogP2.50
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(4-methyl-3-pyridinyl)methanol
CID 66274356
1,3-dihydro-2-benzofuran-5-yl-(2,4-dimethylphenyl)methanol
CID 63020951
N-[1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105006538
1,3-dihydro-2-benzofuran-5-yl-(4-methoxy-2-methylphenyl)methanol
CID 63743179
(2-chloro-4-fluoro-5-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 81045709
(4-methyl-3-pyridinyl)-pyridazin-4-ylmethanol
CID 105110785
1,3-dihydro-2-benzofuran-5-yl-(2-methylpyrazol-3-yl)methanol
CID 115799051
(2-chlorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 63021648
1,3-dihydro-2-benzofuran-5-yl(phenyl)methanol
CID 63019916
(2-chloro-4,5-difluorophenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 107477204
1,3-dihydro-2-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 63019197
5-[bromo-(3,4-dimethylphenyl)methyl]-1,3-dihydro-2-benzofuran
CID 55144438

Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol (CID 115817753) is 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol is Cc1ccncc1C(O)c1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol?
The InChIKey is OJCVTIDJBBIJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-4-5-16-7-14(10)15(17)11-2-3-12-8-18-9-13(12)6-11/h2-7,15,17H,8-9H2,1H3.
What are the key properties of 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol?
1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol has a molecular weight of 241.29 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-yl-(4-methyl-3-pyridinyl)methanol is sourced from PubChem (CID 115817753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).