4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid

C16H20O2 — CID 19938016

IUPAC4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
SMILESC/C=C/C1CCC(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C16H20O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h2-3,8-13H,4-7H2,1H3,(H,17,18)/b3-2+
InChIKeyVFFDCIZQFIVIAB-NSCUHMNNSA-N
MW244.33 g/mol
LogP4.23
Rot. Bonds3

About 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid

4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid (PubChem CID 19938016) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid.

Molecular Properties

Compound Name4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
PubChem CID19938016
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid
SMILESC/C=C/C1CCC(c2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C16H20O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h2-3,8-13H,4-7H2,1H3,(H,17,18)/b3-2+
InChIKeyVFFDCIZQFIVIAB-NSCUHMNNSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-pent-1-enylcyclohexyl)benzoic acid
CID 54142034
4-(4-methylcyclohexyl)benzoic acid
CID 56632428
ethane;1-(4-methylcyclohexyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 90684814
1-methoxy-4-(4-prop-1-enylcyclohexyl)benzene
CID 123745381
1-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]-4-(trifluoromethoxy)benzene
CID 59734847
4-(4-cyclobutylphenyl)benzoic acid
CID 116506494
1-methoxy-4-[4-[(E)-2-[4-[(E)-prop-1-enyl]cyclohexyl]ethenyl]cyclohexyl]benzene;molecular hydrogen
CID 160964555
1-methyl-4-[2-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]ethynyl]benzene
CID 173280840
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799
(E)-3-[4-(4-bromophenyl)cyclohexyl]prop-2-enoic acid
CID 19097940
3-[4-(4-bromophenyl)cyclohexyl]prop-2-enoic acid
CID 56635800
1-[4-(3-fluoropropyl)cyclohexyl]-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]phenyl]benzene
CID 67676134

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid?
The IUPAC name of 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid (CID 19938016) is 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid.
What is the SMILES notation for 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid?
The canonical SMILES for 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid is C/C=C/C1CCC(c2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid?
The InChIKey is VFFDCIZQFIVIAB-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H20O2/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(11-9-14)16(17)18/h2-3,8-13H,4-7H2,1H3,(H,17,18)/b3-2+.
What are the key properties of 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid?
4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid has a molecular weight of 244.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-prop-1-enyl]cyclohexyl]benzoic acid is sourced from PubChem (CID 19938016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).