4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol

C19H20ClFO — CID 167269247

IUPAC4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol
SMILESCC1(C)CC(C)(C)c2cc(-c3cc(Cl)ccc3O)c(F)cc21
InChIInChI=1S/C19H20ClFO/c1-18(2)10-19(3,4)15-9-16(21)12(8-14(15)18)13-7-11(20)5-6-17(13)22/h5-9,22H,10H2,1-4H3
InChIKeyWVVGOWQSQPBZSE-UHFFFAOYSA-N
MW318.82 g/mol
LogP5.81
Rot. Bonds1

About 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol

4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol (PubChem CID 167269247) has the molecular formula C19H20ClFO and a molecular weight of 318.82 g/mol. Its IUPAC name is 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol
PubChem CID167269247
Molecular FormulaC19H20ClFO
Molecular Weight318.82 g/mol
Exact Mass318.12
IUPAC Name4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol
SMILESCC1(C)CC(C)(C)c2cc(-c3cc(Cl)ccc3O)c(F)cc21
InChIInChI=1S/C19H20ClFO/c1-18(2)10-19(3,4)15-9-16(21)12(8-14(15)18)13-7-11(20)5-6-17(13)22/h5-9,22H,10H2,1-4H3
InChIKeyWVVGOWQSQPBZSE-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.82
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol?
The IUPAC name of 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol (CID 167269247) is 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol is CC1(C)CC(C)(C)c2cc(-c3cc(Cl)ccc3O)c(F)cc21.
What is the InChIKey of 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol?
The InChIKey is WVVGOWQSQPBZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFO/c1-18(2)10-19(3,4)15-9-16(21)12(8-14(15)18)13-7-11(20)5-6-17(13)22/h5-9,22H,10H2,1-4H3.
What are the key properties of 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol?
4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol has a molecular weight of 318.82 g/mol, XLogP of 5.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-fluoro-1,1,3,3-tetramethyl-2H-inden-5-yl)phenol is sourced from PubChem (CID 167269247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).