1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene

C19H18F2O — CID 141079392

IUPAC1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene
SMILESCc1ccc(OCc2ccc(F)cc2F)c(C2=CCCC2)c1
InChIInChI=1S/C19H18F2O/c1-13-6-9-19(17(10-13)14-4-2-3-5-14)22-12-15-7-8-16(20)11-18(15)21/h4,6-11H,2-3,5,12H2,1H3
InChIKeyCRDUDGHCCWCCNF-UHFFFAOYSA-N
MW300.35 g/mol
LogP5.42
Rot. Bonds4

About 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene

1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene (PubChem CID 141079392) has the molecular formula C19H18F2O and a molecular weight of 300.35 g/mol. Its IUPAC name is 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene
PubChem CID141079392
Molecular FormulaC19H18F2O
Molecular Weight300.35 g/mol
Exact Mass300.13
IUPAC Name1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene
SMILESCc1ccc(OCc2ccc(F)cc2F)c(C2=CCCC2)c1
InChIInChI=1S/C19H18F2O/c1-13-6-9-19(17(10-13)14-4-2-3-5-14)22-12-15-7-8-16(20)11-18(15)21/h4,6-11H,2-3,5,12H2,1H3
InChIKeyCRDUDGHCCWCCNF-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.35
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopenten-1-yl)-1,4-difluorobenzene
CID 149112828
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
1-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]-4-methylpent-4-en-1-one
CID 142835435
3-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-amine
CID 62197636
1-[(2-chloro-4-fluorophenyl)methoxy]-2,4-dimethylbenzene
CID 60627601
3-[(2,4-difluorophenyl)methoxy]-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 1307087
[2-[(2,4-dimethylphenoxy)methyl]-4-fluorophenyl]methanamine
CID 64765020
2-(bromomethyl)-3-[(2,4-difluorophenyl)methoxy]-6-methylpyridine
CID 79168878
6-[2-[2-[(2,4-difluorophenyl)methoxy]-5-methylphenyl]cyclopentyl]pyridine-2-carboxylic acid
CID 142815869
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
5-(cyclohexen-1-yl)-1-[(4-cyclopropyl-2-fluorophenyl)methoxy]-2,3-difluorobenzene
CID 163457680
4-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenol
CID 142835104

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene?
The IUPAC name of 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene (CID 141079392) is 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene.
What is the SMILES notation for 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene?
The canonical SMILES for 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene is Cc1ccc(OCc2ccc(F)cc2F)c(C2=CCCC2)c1.
What is the InChIKey of 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene?
The InChIKey is CRDUDGHCCWCCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2O/c1-13-6-9-19(17(10-13)14-4-2-3-5-14)22-12-15-7-8-16(20)11-18(15)21/h4,6-11H,2-3,5,12H2,1H3.
What are the key properties of 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene?
1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene has a molecular weight of 300.35 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(cyclopenten-1-yl)-4-methylphenoxy]methyl]-2,4-difluorobenzene is sourced from PubChem (CID 141079392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).