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

C17H16ClFO2 — CID 79431432

IUPAC2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
SMILESOCC(CC1Cc2cc(F)ccc2O1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClFO2/c18-14-3-1-2-11(6-14)13(10-20)9-16-8-12-7-15(19)4-5-17(12)21-16/h1-7,13,16,20H,8-10H2
InChIKeyCCSFTGZBYIXIBG-UHFFFAOYSA-N
MW306.76 g/mol
LogP3.95
Rot. Bonds4

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

2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol (PubChem CID 79431432) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
PubChem CID79431432
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
SMILESOCC(CC1Cc2cc(F)ccc2O1)c1cccc(Cl)c1
InChIInChI=1S/C17H16ClFO2/c18-14-3-1-2-11(6-14)13(10-20)9-16-8-12-7-15(19)4-5-17(12)21-16/h1-7,13,16,20H,8-10H2
InChIKeyCCSFTGZBYIXIBG-UHFFFAOYSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-phenylpropan-1-ol
CID 66360930
3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-(2-fluorophenyl)propan-1-ol
CID 79437375
2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79433736
2-[2-(2-bromophenyl)-3-chloropropyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 79438173
2-[2-(chloromethyl)-3-methylbutyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 66362279
2-[3-bromo-2-(3-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79431712
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]phenyl]methanol
CID 66359946
2-(3-bromo-2-methylbutyl)-5-fluoro-2,3-dihydro-1-benzofuran
CID 66360498
(1S)-N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81370641
5-fluoro-2-(phenylsulfanylmethyl)-2,3-dihydro-1-benzofuran
CID 147180543
2-(1,1-dioxothiolan-3-yl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol
CID 66362849

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
The IUPAC name of 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol (CID 79431432) is 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
The canonical SMILES for 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol is OCC(CC1Cc2cc(F)ccc2O1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
The InChIKey is CCSFTGZBYIXIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c18-14-3-1-2-11(6-14)13(10-20)9-16-8-12-7-15(19)4-5-17(12)21-16/h1-7,13,16,20H,8-10H2.
What are the key properties of 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol?
2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol has a molecular weight of 306.76 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)propan-1-ol is sourced from PubChem (CID 79431432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).