1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene

C16H21FO — CID 144809436

IUPAC1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene
SMILESC/C=C/OC1CCC(c2ccc(C)cc2)CC1F
InChIInChI=1S/C16H21FO/c1-3-10-18-16-9-8-14(11-15(16)17)13-6-4-12(2)5-7-13/h3-7,10,14-16H,8-9,11H2,1-2H3/b10-3+
InChIKeyWLKVZIKVHUZOTN-XCVCLJGOSA-N
MW248.34 g/mol
LogP4.52
Rot. Bonds3

About 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene

1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene (PubChem CID 144809436) has the molecular formula C16H21FO and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene
PubChem CID144809436
Molecular FormulaC16H21FO
Molecular Weight248.34 g/mol
Exact Mass248.16
IUPAC Name1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene
SMILESC/C=C/OC1CCC(c2ccc(C)cc2)CC1F
InChIInChI=1S/C16H21FO/c1-3-10-18-16-9-8-14(11-15(16)17)13-6-4-12(2)5-7-13/h3-7,10,14-16H,8-9,11H2,1-2H3/b10-3+
InChIKeyWLKVZIKVHUZOTN-XCVCLJGOSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1,2,3-trifluoro-5-[2-fluoro-4-(4-methylphenyl)cyclohexyl]benzene
CID 143091545
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
1-[4-[3-fluoro-4-(4-methylphenyl)cyclohexyl]phenyl]-4-methylcycloheptane
CID 167263673
1-[3-fluoro-4-(2-methylpropoxy)cyclohexyl]-4-methoxybenzene
CID 144809384
(1R,5S)-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane
CID 58503490
2-[3-(4-methylphenyl)cyclopentyl]ethanamine
CID 82282657
1-methyl-4-[4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]benzene
CID 18341909
1-methyl-4-[3-[3-[3-(4-methylphenyl)cyclopentyl]propyl]cyclopentyl]benzene
CID 58122658
[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]cyclohexyl] 2-methylprop-2-enoate
CID 138517239
1-methyl-4-[4-[4-(trifluoromethoxy)cyclohexyl]cyclohexyl]benzene
CID 15002107

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene?
The IUPAC name of 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene (CID 144809436) is 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene.
What is the SMILES notation for 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene?
The canonical SMILES for 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene is C/C=C/OC1CCC(c2ccc(C)cc2)CC1F.
What is the InChIKey of 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene?
The InChIKey is WLKVZIKVHUZOTN-XCVCLJGOSA-N. The full InChI is InChI=1S/C16H21FO/c1-3-10-18-16-9-8-14(11-15(16)17)13-6-4-12(2)5-7-13/h3-7,10,14-16H,8-9,11H2,1-2H3/b10-3+.
What are the key properties of 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene?
1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene has a molecular weight of 248.34 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[(E)-prop-1-enoxy]cyclohexyl]-4-methylbenzene is sourced from PubChem (CID 144809436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).