2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene

C23H20F2OS — CID 174244267

IUPAC2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(OCC4CC=CC4)c(F)c3F)cc2)s1
InChIInChI=1S/C23H20F2OS/c1-15-6-13-21(27-15)18-9-7-17(8-10-18)19-11-12-20(23(25)22(19)24)26-14-16-4-2-3-5-16/h2-3,6-13,16H,4-5,14H2,1H3
InChIKeyHQPSWAXBDLWXFO-UHFFFAOYSA-N
MW382.48 g/mol
LogP7.01
Rot. Bonds5

About 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene

2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene (PubChem CID 174244267) has the molecular formula C23H20F2OS and a molecular weight of 382.48 g/mol. Its IUPAC name is 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene.

Molecular Properties

Compound Name2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
PubChem CID174244267
Molecular FormulaC23H20F2OS
Molecular Weight382.48 g/mol
Exact Mass382.12
IUPAC Name2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
SMILESCc1ccc(-c2ccc(-c3ccc(OCC4CC=CC4)c(F)c3F)cc2)s1
InChIInChI=1S/C23H20F2OS/c1-15-6-13-21(27-15)18-9-7-17(8-10-18)19-11-12-20(23(25)22(19)24)26-14-16-4-2-3-5-16/h2-3,6-13,16H,4-5,14H2,1H3
InChIKeyHQPSWAXBDLWXFO-UHFFFAOYSA-N
XLogP7.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.48
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
CID 174244261
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
3-(cyclopent-3-en-1-ylmethoxy)-7-ethoxy-4,6-difluorodibenzothiophene
CID 170293379
1-ethoxy-4-[4-[[4-(4-ethoxyphenyl)-2,3-difluorophenoxy]methyl]cyclohexyl]-2,3-difluorobenzene
CID 89430115
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
2-[4-[4-(cyclobutylmethoxy)-2,3-difluorophenyl]-3-fluorophenyl]-5-iodothiophene
CID 172603684
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylphenyl)cyclohex-2-en-1-yl]phenyl]benzene
CID 139334431
2-[4-(4-cyclopentylphenyl)-2,3-difluorophenyl]-5-methylthiophene
CID 171813065
5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
CID 143775739
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
4-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]cyclohexan-1-amine
CID 163615005
1-[[4-[2,3-difluoro-4-(4-prop-1-enylphenyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 77471031

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
The IUPAC name of 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene (CID 174244267) is 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene.
What is the SMILES notation for 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
The canonical SMILES for 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene is Cc1ccc(-c2ccc(-c3ccc(OCC4CC=CC4)c(F)c3F)cc2)s1.
What is the InChIKey of 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
The InChIKey is HQPSWAXBDLWXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2OS/c1-15-6-13-21(27-15)18-9-7-17(8-10-18)19-11-12-20(23(25)22(19)24)26-14-16-4-2-3-5-16/h2-3,6-13,16H,4-5,14H2,1H3.
What are the key properties of 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene?
2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene has a molecular weight of 382.48 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopent-3-en-1-ylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene is sourced from PubChem (CID 174244267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).