(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid

C19H26O2 — CID 67642965

IUPAC(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
SMILESCCCc1ccc(C2CCC(C/C=C/C(=O)O)CC2)cc1
InChIInChI=1S/C19H26O2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21/h3,6-8,11-12,16,18H,2,4-5,9-10,13-14H2,1H3,(H,20,21)/b6-3+
InChIKeyGJRCSDWIMYBAIV-ZZXKWVIFSA-N
MW286.42 g/mol
LogP4.94
Rot. Bonds6

About (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid

(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid (PubChem CID 67642965) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
PubChem CID67642965
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid
SMILESCCCc1ccc(C2CCC(C/C=C/C(=O)O)CC2)cc1
InChIInChI=1S/C19H26O2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21/h3,6-8,11-12,16,18H,2,4-5,9-10,13-14H2,1H3,(H,20,21)/b6-3+
InChIKeyGJRCSDWIMYBAIV-ZZXKWVIFSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(3-fluoroprop-2-enyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 57115523
(E)-4-[4-(4-cyanophenyl)cyclohexyl]but-2-enoic acid
CID 67642976
(E)-4-[4-(4-propylphenyl)cyclohexyl]pent-2-enoic acid
CID 67642998
(E)-4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]but-2-enoic acid
CID 67844168
(E)-4-[4-[4-(4-cyanophenyl)cyclohexyl]cyclohexyl]but-2-enoic acid
CID 67642810
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
1-[4-(4-fluorobut-3-enyl)cyclohexyl]-4-propylbenzene
CID 54484505
(2E,4E)-6-[4-(4-fluorophenyl)cyclohexyl]hexa-2,4-dienoic acid
CID 18689105
1-butyl-4-[4-[(E)-5,5,5-trifluoropent-2-enyl]cyclohexyl]benzene
CID 19695503
1-[4-[(E)-3-fluoroprop-2-enyl]cyclohexyl]-4-(4-pentylphenyl)benzene
CID 67864648

Frequently Asked Questions

What is the IUPAC name of (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid?
The IUPAC name of (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid (CID 67642965) is (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid.
What is the SMILES notation for (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid?
The canonical SMILES for (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid is CCCc1ccc(C2CCC(C/C=C/C(=O)O)CC2)cc1.
What is the InChIKey of (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid?
The InChIKey is GJRCSDWIMYBAIV-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-4-15-7-11-17(12-8-15)18-13-9-16(10-14-18)5-3-6-19(20)21/h3,6-8,11-12,16,18H,2,4-5,9-10,13-14H2,1H3,(H,20,21)/b6-3+.
What are the key properties of (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid?
(E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid has a molecular weight of 286.42 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[4-(4-propylphenyl)cyclohexyl]but-2-enoic acid is sourced from PubChem (CID 67642965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).