(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate

C19H26O3 — CID 6048720

IUPAC(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCCC1CCC(OC(=O)/C=C/c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H26O3/c1-3-4-15-7-12-18(13-8-15)22-19(20)14-9-16-5-10-17(21-2)11-6-16/h5-6,9-11,14-15,18H,3-4,7-8,12-13H2,1-2H3/b14-9+
InChIKeyRRVWESUXPGQASF-NTEUORMPSA-N
MW302.41 g/mol
LogP4.61
Rot. Bonds6

About (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate

(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 6048720) has the molecular formula C19H26O3 and a molecular weight of 302.41 g/mol. Its IUPAC name is (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID6048720
Molecular FormulaC19H26O3
Molecular Weight302.41 g/mol
Exact Mass302.19
IUPAC Name(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCCCC1CCC(OC(=O)/C=C/c2ccc(OC)cc2)CC1
InChIInChI=1S/C19H26O3/c1-3-4-15-7-12-18(13-8-15)22-19(20)14-9-16-5-10-17(21-2)11-6-16/h5-6,9-11,14-15,18H,3-4,7-8,12-13H2,1-2H3/b14-9+
InChIKeyRRVWESUXPGQASF-NTEUORMPSA-N
XLogP4.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 89402377
[4-(2,2-dimethylbutanoylamino)cyclohexyl] (E)-3-(4-butoxyphenyl)prop-2-enoate;[4-(2,2-dimethylbutanoylamino)cyclohexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 157144329
[8-[4-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]-4-bicyclo[5.1.0]octanyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 145451136
[4-(2,2-dimethylbutanoylamino)cyclohexyl] (E)-3-(4-butoxyphenyl)prop-2-enoate;[4-(2,2-dimethylbutanoylamino)cyclohexyl] (E)-3-(4-methoxyphenyl)prop-2-enoate;[4-(2,2-dimethylbutanoylamino)cyclohexyl] (E)-3-(4-octoxyphenyl)prop-2-enoate
CID 160726745
[3-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxycyclohexyl] 2,2-dimethylbutanoate
CID 153307254
[4-[3-(4-undecoxyphenyl)prop-2-enoyloxy]phenyl] 4-propylcyclohexane-1-carboxylate
CID 91414800
[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]oxymethyl]cyclohexyl]methyl 2,2-dimethylbutanoate
CID 153307201
[4-[(Z)-3-[4-[(Z)-3-[4-(2-methylprop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxycyclohexyl]oxy-3-oxoprop-1-enyl]phenoxy]methyl 2-methylprop-2-enoate
CID 59360215
butyl 3-(4-methoxyphenyl)prop-2-enoate
CID 53421003
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
(E)-3-(4-methoxyphenyl)prop-2-enoic acid;methylcyclopropane
CID 67564177

Frequently Asked Questions

What is the IUPAC name of (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 6048720) is (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate is CCCC1CCC(OC(=O)/C=C/c2ccc(OC)cc2)CC1.
What is the InChIKey of (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is RRVWESUXPGQASF-NTEUORMPSA-N. The full InChI is InChI=1S/C19H26O3/c1-3-4-15-7-12-18(13-8-15)22-19(20)14-9-16-5-10-17(21-2)11-6-16/h5-6,9-11,14-15,18H,3-4,7-8,12-13H2,1-2H3/b14-9+.
What are the key properties of (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate?
(4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 302.41 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylcyclohexyl) (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 6048720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).