2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene

C14H16ClFO — CID 153354265

IUPAC2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene
SMILESCCOc1ccc(C2=CCCCC2)c(Cl)c1F
InChIInChI=1S/C14H16ClFO/c1-2-17-12-9-8-11(13(15)14(12)16)10-6-4-3-5-7-10/h6,8-9H,2-5,7H2,1H3
InChIKeyLAJYPQXBTCZCCA-UHFFFAOYSA-N
MW254.73 g/mol
LogP4.84
Rot. Bonds3

About 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene

2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene (PubChem CID 153354265) has the molecular formula C14H16ClFO and a molecular weight of 254.73 g/mol. Its IUPAC name is 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene
PubChem CID153354265
Molecular FormulaC14H16ClFO
Molecular Weight254.73 g/mol
Exact Mass254.09
IUPAC Name2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene
SMILESCCOc1ccc(C2=CCCCC2)c(Cl)c1F
InChIInChI=1S/C14H16ClFO/c1-2-17-12-9-8-11(13(15)14(12)16)10-6-4-3-5-7-10/h6,8-9H,2-5,7H2,1H3
InChIKeyLAJYPQXBTCZCCA-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.73
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2-fluorobenzene
CID 59257307
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexen-1-yl]benzene
CID 141281492
3-chloro-1-ethoxy-2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]benzene
CID 59257238
1-[4-(2-chloro-4-ethoxy-3-fluorophenyl)phenyl]-4-(4-ethenylcyclohexen-1-yl)-2,3-difluorobenzene
CID 59257281
1-(2-chloro-4-ethoxy-3-fluorophenyl)-2,3-difluoro-4-hexoxybenzene
CID 125478968
1-ethoxy-4-(4-ethylcyclohexen-1-yl)-2,3-difluorobenzene
CID 168776499
4-chloro-2-(cyclohexen-1-yl)-1-fluorobenzene
CID 66968489
3-chloro-4-(cyclohexen-1-yl)-1-N-(cyclopropylmethyl)benzene-1,2-diamine
CID 123153408
1-butoxy-4-[4-(4-butylcyclohexyl)cyclohexen-1-yl]-3-chloro-2-fluorobenzene
CID 59257435
1-butoxy-3-chloro-4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorobenzene
CID 125479169
1-(2-chloro-4-ethoxy-3-fluorophenyl)ethanone
CID 130752787
1-(cyclohexen-1-yl)-2,3,4,5-tetrafluorobenzene
CID 57333305

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene?
The IUPAC name of 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene (CID 153354265) is 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene.
What is the SMILES notation for 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene?
The canonical SMILES for 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene is CCOc1ccc(C2=CCCCC2)c(Cl)c1F.
What is the InChIKey of 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene?
The InChIKey is LAJYPQXBTCZCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO/c1-2-17-12-9-8-11(13(15)14(12)16)10-6-4-3-5-7-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene?
2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene has a molecular weight of 254.73 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(cyclohexen-1-yl)-4-ethoxy-3-fluorobenzene is sourced from PubChem (CID 153354265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).