(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol

C15H12ClFO — CID 131864185

IUPAC(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H12ClFO/c16-13-7-9(5-6-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12,15,18H,8H2/t12-,15-/m0/s1
InChIKeyTVQSYZONOJWHQF-WFASDCNBSA-N
MW262.71 g/mol
LogP4.05
Rot. Bonds1

About (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol

(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 131864185) has the molecular formula C15H12ClFO and a molecular weight of 262.71 g/mol. Its IUPAC name is (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID131864185
Molecular FormulaC15H12ClFO
Molecular Weight262.71 g/mol
Exact Mass262.06
IUPAC Name(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1C[C@@H](c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C15H12ClFO/c16-13-7-9(5-6-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12,15,18H,8H2/t12-,15-/m0/s1
InChIKeyTVQSYZONOJWHQF-WFASDCNBSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N,N-dimethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260277
3-(4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 3020939
(1R,3S)-3-(2,4-dichlorophenyl)-2,3-dihydro-1H-inden-1-ol
CID 125481378
(1S)-4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 131698545
(3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydroinden-1-one
CID 129405671
5-chloro-3-phenyl-2,3-dihydro-1H-inden-1-ol
CID 19037265
(1R,3S)-1-(3,4-dichlorophenyl)-3-methyl-2,3-dihydro-1H-indene
CID 54553970
(1S,3S)-3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 59582043
3-(5-chloro-1H-indol-3-yl)-2,3-dihydro-1H-inden-1-ol
CID 68911432
(4R)-2-(3-chloro-4-fluorophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950909
4-(4-chloro-3-fluorophenyl)-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 91240365
6-chloro-2-(4-chloro-3-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714517

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol (CID 131864185) is (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1C[C@@H](c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is TVQSYZONOJWHQF-WFASDCNBSA-N. The full InChI is InChI=1S/C15H12ClFO/c16-13-7-9(5-6-14(13)17)12-8-15(18)11-4-2-1-3-10(11)12/h1-7,12,15,18H,8H2/t12-,15-/m0/s1.
What are the key properties of (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol?
(1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 262.71 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-3-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 131864185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).