1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol

C16H15FO — CID 55116074

IUPAC1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)cc1C1(O)CCc2ccccc21
InChIInChI=1S/C16H15FO/c1-11-6-7-13(17)10-15(11)16(18)9-8-12-4-2-3-5-14(12)16/h2-7,10,18H,8-9H2,1H3
InChIKeyQEAJRSJWZUWRCI-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.32
Rot. Bonds1

About 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol

1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 55116074) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID55116074
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1ccc(F)cc1C1(O)CCc2ccccc21
InChIInChI=1S/C16H15FO/c1-11-6-7-13(17)10-15(11)16(18)9-8-12-4-2-3-5-14(12)16/h2-7,10,18H,8-9H2,1H3
InChIKeyQEAJRSJWZUWRCI-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol (CID 55116074) is 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol is Cc1ccc(F)cc1C1(O)CCc2ccccc21.
What is the InChIKey of 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is QEAJRSJWZUWRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-11-6-7-13(17)10-15(11)16(18)9-8-12-4-2-3-5-14(12)16/h2-7,10,18H,8-9H2,1H3.
What are the key properties of 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol?
1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 242.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 55116074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).