[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate

C19H26O2 — CID 122470150

IUPAC[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C19H26O2/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-19(20)14(2)3/h6-9,17-18H,2,4-5,10-13H2,1,3H3
InChIKeyASNGBQHGEZASPV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.78
Rot. Bonds5

About [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate

[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate (PubChem CID 122470150) has the molecular formula C19H26O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate
PubChem CID122470150
Molecular FormulaC19H26O2
Molecular Weight286.42 g/mol
Exact Mass286.19
IUPAC Name[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(c2ccc(CCC)cc2)CC1
InChIInChI=1S/C19H26O2/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-19(20)14(2)3/h6-9,17-18H,2,4-5,10-13H2,1,3H3
InChIKeyASNGBQHGEZASPV-UHFFFAOYSA-N
XLogP4.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-[4-(3-methyl-2-oxobut-3-enyl)phenyl]phenyl]cyclohexyl] propanoate
CID 134374949
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
[5-(2-methylprop-2-enoyloxy)-3-[[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]methyl]pentyl] 2-(hydroxymethyl)prop-2-enoate
CID 134245200
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene;N-methylformamide;2-methylprop-1-ene
CID 145235126
1-[4-(4-ethoxycyclohexylidene)cyclohexyl]-4-propylbenzene
CID 126501939
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
[4-[2-[4-[4-[(2S)-2-fluoropentanoyl]oxycyclohexyl]phenyl]ethyl]cyclohexyl] (2S)-2-fluoropentanoate
CID 56622443

Frequently Asked Questions

What is the IUPAC name of [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate?
The IUPAC name of [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate (CID 122470150) is [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate?
The canonical SMILES for [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(c2ccc(CCC)cc2)CC1.
What is the InChIKey of [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate?
The InChIKey is ASNGBQHGEZASPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)21-19(20)14(2)3/h6-9,17-18H,2,4-5,10-13H2,1,3H3.
What are the key properties of [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate?
[4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate has a molecular weight of 286.42 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylphenyl)cyclohexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 122470150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).