4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol

C19H18FNO — CID 134953677

IUPAC4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol
SMILESCc1ccc([C@](C)(c2ccc(O)cc2)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H18FNO/c1-13-3-12-18(21-13)19(2,14-4-8-16(20)9-5-14)15-6-10-17(22)11-7-15/h3-12,21-22H,1-2H3/t19-/m0/s1
InChIKeyHTFOIYRHHOFGFI-IBGZPJMESA-N
MW295.36 g/mol
LogP4.52
Rot. Bonds3

About 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol

4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol (PubChem CID 134953677) has the molecular formula C19H18FNO and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol
PubChem CID134953677
Molecular FormulaC19H18FNO
Molecular Weight295.36 g/mol
Exact Mass295.14
IUPAC Name4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol
SMILESCc1ccc([C@](C)(c2ccc(O)cc2)c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H18FNO/c1-13-3-12-18(21-13)19(2,14-4-8-16(20)9-5-14)15-6-10-17(22)11-7-15/h3-12,21-22H,1-2H3/t19-/m0/s1
InChIKeyHTFOIYRHHOFGFI-IBGZPJMESA-N
XLogP4.52
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol?
The IUPAC name of 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol (CID 134953677) is 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol.
What is the SMILES notation for 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol?
The canonical SMILES for 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol is Cc1ccc([C@](C)(c2ccc(O)cc2)c2ccc(F)cc2)[nH]1.
What is the InChIKey of 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol?
The InChIKey is HTFOIYRHHOFGFI-IBGZPJMESA-N. The full InChI is InChI=1S/C19H18FNO/c1-13-3-12-18(21-13)19(2,14-4-8-16(20)9-5-14)15-6-10-17(22)11-7-15/h3-12,21-22H,1-2H3/t19-/m0/s1.
What are the key properties of 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol?
4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol has a molecular weight of 295.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-(4-fluorophenyl)-1-(5-methyl-1H-pyrrol-2-yl)ethyl]phenol is sourced from PubChem (CID 134953677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).