1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene

C21H31FO — CID 67590712

IUPAC1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C2CCC(CCC=CCCCF)CC2)cc1
InChIInChI=1S/C21H31FO/c1-23-17-19-10-14-21(15-11-19)20-12-8-18(9-13-20)7-5-3-2-4-6-16-22/h2-3,10-11,14-15,18,20H,4-9,12-13,16-17H2,1H3
InChIKeyMXWPKGTXFQUECJ-UHFFFAOYSA-N
MW318.48 g/mol
LogP6.19
Rot. Bonds9

About 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene

1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene (PubChem CID 67590712) has the molecular formula C21H31FO and a molecular weight of 318.48 g/mol. Its IUPAC name is 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene.

Molecular Properties

Compound Name1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene
PubChem CID67590712
Molecular FormulaC21H31FO
Molecular Weight318.48 g/mol
Exact Mass318.24
IUPAC Name1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene
SMILESCOCc1ccc(C2CCC(CCC=CCCCF)CC2)cc1
InChIInChI=1S/C21H31FO/c1-23-17-19-10-14-21(15-11-19)20-12-8-18(9-13-20)7-5-3-2-4-6-16-22/h2-3,10-11,14-15,18,20H,4-9,12-13,16-17H2,1H3
InChIKeyMXWPKGTXFQUECJ-UHFFFAOYSA-N
XLogP6.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.48
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]cyclohexyl]-4-(methoxymethyl)benzene
CID 67590685
1-(4-pent-3-enylcyclohexyl)-4-(pentoxymethyl)benzene
CID 54254660
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
1-chloro-2,4-difluorobenzene;1-[4-[4-(2-fluoroethyl)cyclohexyl]cyclohexyl]-4-(methoxymethyl)benzene
CID 158978901
1-[4-[4-(4-fluorobut-3-enyl)cyclohexyl]cyclohexyl]-4-methoxybenzene
CID 57159621
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-[4-(methoxymethyl)phenyl]benzene
CID 19780966
1-[4-(4-fluorobutyl)cyclohexyl]-4-[2-[4-(4-hexylcyclohexyl)phenyl]ethyl]benzene
CID 21265220
1-[4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 19798733
1-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 19798695
1-[2-[4-(6-fluorohex-3-enyl)cyclohexyl]ethyl]-4-[4-(2-methoxyethyl)phenyl]benzene
CID 54002608
1-fluoro-4-[4-[(E)-4-fluorobut-3-enyl]cyclohexyl]benzene
CID 19798819
1-(4-methylcyclohexyl)-4-[4-[(E)-pent-3-enyl]cyclohexyl]benzene
CID 23569878

Frequently Asked Questions

What is the IUPAC name of 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene?
The IUPAC name of 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene (CID 67590712) is 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene.
What is the SMILES notation for 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene?
The canonical SMILES for 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene is COCc1ccc(C2CCC(CCC=CCCCF)CC2)cc1.
What is the InChIKey of 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene?
The InChIKey is MXWPKGTXFQUECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FO/c1-23-17-19-10-14-21(15-11-19)20-12-8-18(9-13-20)7-5-3-2-4-6-16-22/h2-3,10-11,14-15,18,20H,4-9,12-13,16-17H2,1H3.
What are the key properties of 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene?
1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene has a molecular weight of 318.48 g/mol, XLogP of 6.19, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(7-fluorohept-3-enyl)cyclohexyl]-4-(methoxymethyl)benzene is sourced from PubChem (CID 67590712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).