4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol

C24H22OS — CID 10546338

IUPAC4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol
SMILESCCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H22OS/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3
InChIKeyMERADDQYWVLJMW-UHFFFAOYSA-N
MW358.51 g/mol
LogP7.28
Rot. Bonds5

About 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol

4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol (PubChem CID 10546338) has the molecular formula C24H22OS and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol.

Molecular Properties

Compound Name4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol
PubChem CID10546338
Molecular FormulaC24H22OS
Molecular Weight358.51 g/mol
Exact Mass358.14
IUPAC Name4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol
SMILESCCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C24H22OS/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3
InChIKeyMERADDQYWVLJMW-UHFFFAOYSA-N
XLogP7.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol?
The IUPAC name of 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol (CID 10546338) is 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol.
What is the SMILES notation for 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol?
The canonical SMILES for 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol is CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol?
The InChIKey is MERADDQYWVLJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22OS/c1-2-3-7-23-24(21-6-4-5-8-22(21)26-23)19-11-9-17(10-12-19)18-13-15-20(25)16-14-18/h4-6,8-16,25H,2-3,7H2,1H3.
What are the key properties of 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol?
4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol has a molecular weight of 358.51 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-butyl-1-benzothiophen-3-yl)phenyl]phenol is sourced from PubChem (CID 10546338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).