4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine

C19H20ClFN2O — CID 175832455

IUPAC4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine
SMILESCCC1CC=C(c2nccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C19H20ClFN2O/c1-2-13-3-5-14(6-4-13)19-22-10-9-18(23-19)24-12-15-7-8-16(20)11-17(15)21/h5,7-11,13H,2-4,6,12H2,1H3
InChIKeyIRANQOUNVNKXCX-UHFFFAOYSA-N
MW346.83 g/mol
LogP5.44
Rot. Bonds5

About 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine

4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine (PubChem CID 175832455) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine
PubChem CID175832455
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine
SMILESCCC1CC=C(c2nccc(OCc3ccc(Cl)cc3F)n2)CC1
InChIInChI=1S/C19H20ClFN2O/c1-2-13-3-5-14(6-4-13)19-22-10-9-18(23-19)24-12-15-7-8-16(20)11-17(15)21/h5,7-11,13H,2-4,6,12H2,1H3
InChIKeyIRANQOUNVNKXCX-UHFFFAOYSA-N
XLogP5.44
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.83
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1-but-2-ynylimidazol-2-yl)methyl]cyclohexen-1-yl]-6-[(4-chloro-2-fluorophenyl)methoxy]pyridine
CID 175490840
2-[4-[4-[(4-chloro-2-fluorophenyl)methoxy]pyrimidin-2-yl]phenyl]acetyl chloride
CID 163780066
3-fluoro-4-[[6-[4-(2-oxoethyl)cyclohexen-1-yl]-2-pyridinyl]oxymethyl]benzonitrile
CID 166715618
methyl 2-[[4-[4-[(4-chloro-2-fluorophenyl)methoxy]-5-fluoropyrimidin-2-yl]cyclohex-3-en-1-yl]methyl]-3-(2-cyano-2-methylpropyl)imidazo[4,5-b]pyridine-5-carboxylate
CID 167435520
2-[(4-chloro-2-fluorophenyl)methoxy]pyrazine
CID 176885300
2-[(4-chloro-2-fluorophenyl)methoxy]-6-[1-[(5-methyl-2,3-dihydrothiophen-2-yl)methyl]piperidin-4-yl]pyridine
CID 175266588
2-[(4-chloro-2-fluorophenyl)methoxy]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 175910489
methyl 2-[4-[6-[(4-chloro-2-fluorophenyl)methoxy]-2-pyridinyl]cyclohexyl]acetate
CID 155190470
2-[[4-[3-[(4-chloro-2-fluorophenyl)methoxy]pyrazin-2-yl]cyclohex-3-en-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
CID 166715718
3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
CID 59257307
2-chloro-1-[4-(4-ethylcyclohexen-1-yl)phenyl]-3-fluoro-4-propylbenzene
CID 59257271
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine (CID 175832455) is 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine is CCC1CC=C(c2nccc(OCc3ccc(Cl)cc3F)n2)CC1.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine?
The InChIKey is IRANQOUNVNKXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-2-13-3-5-14(6-4-13)19-22-10-9-18(23-19)24-12-15-7-8-16(20)11-17(15)21/h5,7-11,13H,2-4,6,12H2,1H3.
What are the key properties of 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine?
4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine has a molecular weight of 346.83 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)methoxy]-2-(4-ethylcyclohexen-1-yl)pyrimidine is sourced from PubChem (CID 175832455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).