1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene

C20H21FO2 — CID 139334388

IUPAC1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(C3C=CCCC3)c(F)c2)cc1
InChIInChI=1S/C20H21FO2/c1-22-17-9-7-15(8-10-17)14-23-18-11-12-19(20(21)13-18)16-5-3-2-4-6-16/h3,5,7-13,16H,2,4,6,14H2,1H3
InChIKeyOBQMFCFNQVGRKW-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.24
Rot. Bonds5

About 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene

1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene (PubChem CID 139334388) has the molecular formula C20H21FO2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene
PubChem CID139334388
Molecular FormulaC20H21FO2
Molecular Weight312.38 g/mol
Exact Mass312.15
IUPAC Name1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene
SMILESCOc1ccc(COc2ccc(C3C=CCCC3)c(F)c2)cc1
InChIInChI=1S/C20H21FO2/c1-22-17-9-7-15(8-10-17)14-23-18-11-12-19(20(21)13-18)16-5-3-2-4-6-16/h3,5,7-13,16H,2,4,6,14H2,1H3
InChIKeyOBQMFCFNQVGRKW-UHFFFAOYSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.24
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

1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
(1R)-1-[2-fluoro-4-[(4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720145
[2,6-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]methyl methanesulfonate
CID 118455182
2-bromo-6-fluoro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 118663690
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one
CID 103396633
1-[6-[[4-(4-methoxyphenyl)phenyl]methoxy]-1,2,3,4-tetrahydronaphthalen-1-yl]-N,N-dimethylmethanamine
CID 170189620
(1S)-N-benzyl-N-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-amine
CID 102357278
N-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopentanamine
CID 62598717
N-[[4-[(3-bromo-4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 83231219
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541

Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The IUPAC name of 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene (CID 139334388) is 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The canonical SMILES for 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene is COc1ccc(COc2ccc(C3C=CCCC3)c(F)c2)cc1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene?
The InChIKey is OBQMFCFNQVGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FO2/c1-22-17-9-7-15(8-10-17)14-23-18-11-12-19(20(21)13-18)16-5-3-2-4-6-16/h3,5,7-13,16H,2,4,6,14H2,1H3.
What are the key properties of 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene?
1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene has a molecular weight of 312.38 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-2-fluoro-4-[(4-methoxyphenyl)methoxy]benzene is sourced from PubChem (CID 139334388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).