4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol

C20H15FOS — CID 18430713

IUPAC4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol
SMILESCc1sc2cc3ccccc3c(-c3ccc(O)c(F)c3)c2c1C
InChIInChI=1S/C20H15FOS/c1-11-12(2)23-18-10-13-5-3-4-6-15(13)20(19(11)18)14-7-8-17(22)16(21)9-14/h3-10,22H,1-2H3
InChIKeyKTPLQTZSARXILB-UHFFFAOYSA-N
MW322.40 g/mol
LogP6.18
Rot. Bonds1

About 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol

4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol (PubChem CID 18430713) has the molecular formula C20H15FOS and a molecular weight of 322.40 g/mol. Its IUPAC name is 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol
PubChem CID18430713
Molecular FormulaC20H15FOS
Molecular Weight322.40 g/mol
Exact Mass322.08
IUPAC Name4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol
SMILESCc1sc2cc3ccccc3c(-c3ccc(O)c(F)c3)c2c1C
InChIInChI=1S/C20H15FOS/c1-11-12(2)23-18-10-13-5-3-4-6-15(13)20(19(11)18)14-7-8-17(22)16(21)9-14/h3-10,22H,1-2H3
InChIKeyKTPLQTZSARXILB-UHFFFAOYSA-N
XLogP6.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10933614
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3''-(1-Benzothien-2-yl)biphenyl-3-ol
CID 46887555
4-[2-(Cyclohexen-1-yl)benzothiophen-3-yl]phenol
CID 24794043
4''-(2-(4-Hydroxybenzyl)benzo[b]thiophen-3-yl)biphenyl-4-ol
CID 10645149
3-[3-(4-Hydroxyphenyl)-1-benzothiophen-2-yl]phenol
CID 91970624
4'-(2-Benzyl-benzo[b]thiophen-3-yl)-biphenyl-4-ol
CID 10548559
6-(Thiophen-2-yl)naphthalen-2-ol
CID 10878866
3-(4-Fluoro-phenyl)-benzo[b]thiophen-6-ol
CID 22314196
6-Thiophen-3-ylnaphthalen-2-ol
CID 24827304
2-(4-Fluorophenyl)benzo[b]thiophene-6-ol
CID 85708376
Zqsolxqzozonex-uhfffaoysa-
CID 1077196

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol?
The IUPAC name of 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol (CID 18430713) is 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol.
What is the SMILES notation for 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol?
The canonical SMILES for 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol is Cc1sc2cc3ccccc3c(-c3ccc(O)c(F)c3)c2c1C.
What is the InChIKey of 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol?
The InChIKey is KTPLQTZSARXILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FOS/c1-11-12(2)23-18-10-13-5-3-4-6-15(13)20(19(11)18)14-7-8-17(22)16(21)9-14/h3-10,22H,1-2H3.
What are the key properties of 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol?
4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol has a molecular weight of 322.40 g/mol, XLogP of 6.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-fluorophenol is sourced from PubChem (CID 18430713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).