3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol

C17H17FO2 — CID 66360930

IUPAC3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
SMILESOCC(CC1Cc2cc(F)ccc2O1)c1ccccc1
InChIInChI=1S/C17H17FO2/c18-15-6-7-17-13(8-15)9-16(20-17)10-14(11-19)12-4-2-1-3-5-12/h1-8,14,16,19H,9-11H2
InChIKeyKWJMQUXOFNFGRK-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.30
Rot. Bonds4

About 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol

3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol (PubChem CID 66360930) has the molecular formula C17H17FO2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
PubChem CID66360930
Molecular FormulaC17H17FO2
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Name3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
SMILESOCC(CC1Cc2cc(F)ccc2O1)c1ccccc1
InChIInChI=1S/C17H17FO2/c18-15-6-7-17-13(8-15)9-16(20-17)10-14(11-19)12-4-2-1-3-5-12/h1-8,14,16,19H,9-11H2
InChIKeyKWJMQUXOFNFGRK-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 79431432
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79437375
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543
(1S)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-phenylethanamine
CID 66364892
2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 79438173
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79431712
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
2-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 66362849
2-[2-(chloromethyl)-3-methylbutyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 66362279
2-[carboxymethyl-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]acetic acid
CID 66363950

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol (CID 66360930) is 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol is OCC(CC1Cc2cc(F)ccc2O1)c1ccccc1.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol?
The InChIKey is KWJMQUXOFNFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO2/c18-15-6-7-17-13(8-15)9-16(20-17)10-14(11-19)12-4-2-1-3-5-12/h1-8,14,16,19H,9-11H2.
What are the key properties of 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol?
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol has a molecular weight of 272.32 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol is sourced from PubChem (CID 66360930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).