2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol

C16H15FO3 — CID 62198679

IUPAC2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C16H15FO3/c1-19-15-5-3-12(9-13(15)17)16(18)11-2-4-14-10(8-11)6-7-20-14/h2-5,8-9,16,18H,6-7H2,1H3
InChIKeyLTNXJNCYSBPOJB-UHFFFAOYSA-N
MW274.29 g/mol
LogP2.85
Rot. Bonds3

About 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol

2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 62198679) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID62198679
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C16H15FO3/c1-19-15-5-3-12(9-13(15)17)16(18)11-2-4-14-10(8-11)6-7-20-14/h2-5,8-9,16,18H,6-7H2,1H3
InChIKeyLTNXJNCYSBPOJB-UHFFFAOYSA-N
XLogP2.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
6-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 62920915
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethoxyphenyl)methanol
CID 61100594
2,3-dihydro-1-benzofuran-5-yl-[4-(methoxymethyl)phenyl]methanol
CID 104542108
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
2,3-dihydro-1-benzofuran-5-yl-(2,4-dimethoxyphenyl)methanol
CID 61099921
(2-chloro-6-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 104817396
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
[2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105333854
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65433487
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol (CID 62198679) is 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2ccc3c(c2)CCO3)cc1F.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is LTNXJNCYSBPOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-19-15-5-3-12(9-13(15)17)16(18)11-2-4-14-10(8-11)6-7-20-14/h2-5,8-9,16,18H,6-7H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol?
2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 274.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 62198679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).