4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol

C16H15FO2 — CID 83069885

IUPAC4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CCc3c(F)cccc32)cc1
InChIInChI=1S/C16H15FO2/c1-19-12-7-5-11(6-8-12)16(18)10-9-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3
InChIKeyHJXFNDRKDVTNLK-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.02
Rot. Bonds2

About 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol

4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol (PubChem CID 83069885) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
PubChem CID83069885
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol
SMILESCOc1ccc(C2(O)CCc3c(F)cccc32)cc1
InChIInChI=1S/C16H15FO2/c1-19-12-7-5-11(6-8-12)16(18)10-9-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3
InChIKeyHJXFNDRKDVTNLK-UHFFFAOYSA-N
XLogP3.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol (CID 83069885) is 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol is COc1ccc(C2(O)CCc3c(F)cccc32)cc1.
What is the InChIKey of 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is HJXFNDRKDVTNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-19-12-7-5-11(6-8-12)16(18)10-9-13-14(16)3-2-4-15(13)17/h2-8,18H,9-10H2,1H3.
What are the key properties of 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol?
4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 258.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(4-methoxyphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83069885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).