3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol

C21H21FO2 — CID 163764534

IUPAC3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol
SMILESCc1cc(OCC(C)(C)c2c(O)cccc2F)cc2ccccc12
InChIInChI=1S/C21H21FO2/c1-14-11-16(12-15-7-4-5-8-17(14)15)24-13-21(2,3)20-18(22)9-6-10-19(20)23/h4-12,23H,13H2,1-3H3
InChIKeyMBCJXVGCZWAMJE-UHFFFAOYSA-N
MW324.40 g/mol
LogP5.35
Rot. Bonds4

About 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol

3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol (PubChem CID 163764534) has the molecular formula C21H21FO2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol.

Molecular Properties

Compound Name3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol
PubChem CID163764534
Molecular FormulaC21H21FO2
Molecular Weight324.40 g/mol
Exact Mass324.15
IUPAC Name3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol
SMILESCc1cc(OCC(C)(C)c2c(O)cccc2F)cc2ccccc12
InChIInChI=1S/C21H21FO2/c1-14-11-16(12-15-7-4-5-8-17(14)15)24-13-21(2,3)20-18(22)9-6-10-19(20)23/h4-12,23H,13H2,1-3H3
InChIKeyMBCJXVGCZWAMJE-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.40
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol?
The IUPAC name of 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol (CID 163764534) is 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol.
What is the SMILES notation for 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol?
The canonical SMILES for 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol is Cc1cc(OCC(C)(C)c2c(O)cccc2F)cc2ccccc12.
What is the InChIKey of 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol?
The InChIKey is MBCJXVGCZWAMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FO2/c1-14-11-16(12-15-7-4-5-8-17(14)15)24-13-21(2,3)20-18(22)9-6-10-19(20)23/h4-12,23H,13H2,1-3H3.
What are the key properties of 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol?
3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol has a molecular weight of 324.40 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[2-methyl-1-(4-methylnaphthalen-2-yl)oxypropan-2-yl]phenol is sourced from PubChem (CID 163764534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).