3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol

C22H29FO — CID 22087360

IUPAC3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2c(C)c(C)c(C)c(C)c2F)c(C)c1C
InChIInChI=1S/C22H29FO/c1-12-8-9-20(16(5)13(12)2)19(11-24)10-21-17(6)14(3)15(4)18(7)22(21)23/h8-9,19,24H,10-11H2,1-7H3
InChIKeyALVXVDXOASVWSK-UHFFFAOYSA-N
MW328.47 g/mol
LogP5.30
Rot. Bonds4

About 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol

3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol (PubChem CID 22087360) has the molecular formula C22H29FO and a molecular weight of 328.47 g/mol. Its IUPAC name is 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol
PubChem CID22087360
Molecular FormulaC22H29FO
Molecular Weight328.47 g/mol
Exact Mass328.22
IUPAC Name3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol
SMILESCc1ccc(C(CO)Cc2c(C)c(C)c(C)c(C)c2F)c(C)c1C
InChIInChI=1S/C22H29FO/c1-12-8-9-20(16(5)13(12)2)19(11-24)10-21-17(6)14(3)15(4)18(7)22(21)23/h8-9,19,24H,10-11H2,1-7H3
InChIKeyALVXVDXOASVWSK-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol?
The IUPAC name of 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol (CID 22087360) is 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol is Cc1ccc(C(CO)Cc2c(C)c(C)c(C)c(C)c2F)c(C)c1C.
What is the InChIKey of 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol?
The InChIKey is ALVXVDXOASVWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FO/c1-12-8-9-20(16(5)13(12)2)19(11-24)10-21-17(6)14(3)15(4)18(7)22(21)23/h8-9,19,24H,10-11H2,1-7H3.
What are the key properties of 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol?
3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol has a molecular weight of 328.47 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3,4,5,6-tetramethylphenyl)-2-(2,3,4-trimethylphenyl)propan-1-ol is sourced from PubChem (CID 22087360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).