1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol

C16H14ClFO — CID 107559695

IUPAC1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3cc(F)ccc32)cc1Cl
InChIInChI=1S/C16H14ClFO/c1-10-2-3-12(9-15(10)17)16(19)7-6-11-8-13(18)4-5-14(11)16/h2-5,8-9,19H,6-7H2,1H3
InChIKeyKLGRFEBBUJFZOA-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.97
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol

1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol (PubChem CID 107559695) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol
PubChem CID107559695
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol
SMILESCc1ccc(C2(O)CCc3cc(F)ccc32)cc1Cl
InChIInChI=1S/C16H14ClFO/c1-10-2-3-12(9-15(10)17)16(19)7-6-11-8-13(18)4-5-14(11)16/h2-5,8-9,19H,6-7H2,1H3
InChIKeyKLGRFEBBUJFZOA-UHFFFAOYSA-N
XLogP3.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol (CID 107559695) is 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol is Cc1ccc(C2(O)CCc3cc(F)ccc32)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is KLGRFEBBUJFZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-10-2-3-12(9-15(10)17)16(19)7-6-11-8-13(18)4-5-14(11)16/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol?
1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 276.74 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-5-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 107559695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).