6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol

C18H11ClOS — CID 21075903

IUPAC6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
SMILESOc1ccc2cc(-c3cc4ccccc4s3)ccc2c1Cl
InChIInChI=1S/C18H11ClOS/c19-18-14-7-5-13(9-11(14)6-8-15(18)20)17-10-12-3-1-2-4-16(12)21-17/h1-10,20H
InChIKeyAWTGFLNUKMJJHX-UHFFFAOYSA-N
MW310.81 g/mol
LogP6.08
Rot. Bonds1

About 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol

6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol (PubChem CID 21075903) has the molecular formula C18H11ClOS and a molecular weight of 310.81 g/mol. Its IUPAC name is 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol.

Molecular Properties

Compound Name6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
PubChem CID21075903
Molecular FormulaC18H11ClOS
Molecular Weight310.81 g/mol
Exact Mass310.02
IUPAC Name6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol
SMILESOc1ccc2cc(-c3cc4ccccc4s3)ccc2c1Cl
InChIInChI=1S/C18H11ClOS/c19-18-14-7-5-13(9-11(14)6-8-15(18)20)17-10-12-3-1-2-4-16(12)21-17/h1-10,20H
InChIKeyAWTGFLNUKMJJHX-UHFFFAOYSA-N
XLogP6.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.81
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chrysen-2-yl-1-benzothiophene
CID 58362123
2-(1-benzothiophen-2-yl)-9H-carbazole
CID 142748713
2-[6-(1-benzothiophen-2-yl)-1-bromonaphthalen-2-yl]oxyacetic acid
CID 21075901
CID 59413459
CID 59413459
5-(1-benzothiophen-2-yl)-1H-indole
CID 53408080
7-(1-benzothiophen-2-yl)-4-bromo-3-methylnaphthalene-2-carboxylic acid
CID 59364297
1-chloro-6-methylnaphthalen-2-ol
CID 90360576
2-(22-naphthalen-2-yl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(27),2,4(12),6(11),7,9,13,16,18(26),19(24),20,22-dodecaenyl)-1-benzothiophene
CID 59413455
1,6-bis(1,3-benzothiazol-2-yl)naphthalen-2-ol
CID 177484678
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
2-[2-([1]benzothiolo[3,2-b][1]benzothiol-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-[1]benzothiolo[3,2-b][1]benzothiole
CID 156519656
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol?
The IUPAC name of 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol (CID 21075903) is 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol.
What is the SMILES notation for 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol?
The canonical SMILES for 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol is Oc1ccc2cc(-c3cc4ccccc4s3)ccc2c1Cl.
What is the InChIKey of 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol?
The InChIKey is AWTGFLNUKMJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClOS/c19-18-14-7-5-13(9-11(14)6-8-15(18)20)17-10-12-3-1-2-4-16(12)21-17/h1-10,20H.
What are the key properties of 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol?
6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol has a molecular weight of 310.81 g/mol, XLogP of 6.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzothiophen-2-yl)-1-chloronaphthalen-2-ol is sourced from PubChem (CID 21075903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).