2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol

C20H13FOS — CID 174538401

IUPAC2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol
SMILESOc1ccccc1-c1ccc(-c2cc(F)cs2)c2ccccc12
InChIInChI=1S/C20H13FOS/c21-13-11-20(23-12-13)18-10-9-16(14-5-1-2-6-15(14)18)17-7-3-4-8-19(17)22/h1-12,22H
InChIKeyHRKKAPGWHGVMDQ-UHFFFAOYSA-N
MW320.39 g/mol
LogP6.08
Rot. Bonds2

About 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol

2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol (PubChem CID 174538401) has the molecular formula C20H13FOS and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol
PubChem CID174538401
Molecular FormulaC20H13FOS
Molecular Weight320.39 g/mol
Exact Mass320.07
IUPAC Name2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol
SMILESOc1ccccc1-c1ccc(-c2cc(F)cs2)c2ccccc12
InChIInChI=1S/C20H13FOS/c21-13-11-20(23-12-13)18-10-9-16(14-5-1-2-6-15(14)18)17-7-3-4-8-19(17)22/h1-12,22H
InChIKeyHRKKAPGWHGVMDQ-UHFFFAOYSA-N
XLogP6.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol?
The IUPAC name of 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol (CID 174538401) is 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol.
What is the SMILES notation for 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol?
The canonical SMILES for 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol is Oc1ccccc1-c1ccc(-c2cc(F)cs2)c2ccccc12.
What is the InChIKey of 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol?
The InChIKey is HRKKAPGWHGVMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FOS/c21-13-11-20(23-12-13)18-10-9-16(14-5-1-2-6-15(14)18)17-7-3-4-8-19(17)22/h1-12,22H.
What are the key properties of 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol?
2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol has a molecular weight of 320.39 g/mol, XLogP of 6.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorothiophen-2-yl)naphthalen-1-yl]phenol is sourced from PubChem (CID 174538401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).