(2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one

C19H24O4 — CID 140607843

IUPAC(2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one
SMILESCOc1cc(C(=O)/C=C/C=C/C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C19H24O4/c1-21-17-12-15(13-18(22-2)19(17)23-3)16(20)11-7-6-10-14-8-4-5-9-14/h6-7,10-14H,4-5,8-9H2,1-3H3/b10-6+,11-7+
InChIKeyCLQWXRCMWOHHJC-JMQWPVDRSA-N
MW316.40 g/mol
LogP4.20
Rot. Bonds7

About (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one

(2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one (PubChem CID 140607843) has the molecular formula C19H24O4 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one
PubChem CID140607843
Molecular FormulaC19H24O4
Molecular Weight316.40 g/mol
Exact Mass316.17
IUPAC Name(2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one
SMILESCOc1cc(C(=O)/C=C/C=C/C2CCCC2)cc(OC)c1OC
InChIInChI=1S/C19H24O4/c1-21-17-12-15(13-18(22-2)19(17)23-3)16(20)11-7-6-10-14-8-4-5-9-14/h6-7,10-14H,4-5,8-9H2,1-3H3/b10-6+,11-7+
InChIKeyCLQWXRCMWOHHJC-JMQWPVDRSA-N
XLogP4.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 131885797
CID 131885797
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
5-(3,4,5-trimethoxyphenyl)-N-[2-[5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoylamino]cyclohexyl]penta-2,4-dienamide
CID 73448077
N-(3,4,5-trimethoxyphenyl)cyclopentanecarboxamide
CID 7741672
2-(3,4,5-trimethoxybenzoyl)cycloheptan-1-one
CID 154083856
3-(3-chloro-4,5-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 3980689
3-(4-bromophenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4811089
3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
3-(3-hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 53402077
2-[cyclohexyl(methyl)amino]-1-(3,4,5-trimethoxyphenyl)ethanone
CID 2452744
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904
(E)-3-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 5379263

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one?
The IUPAC name of (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one (CID 140607843) is (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one.
What is the SMILES notation for (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one?
The canonical SMILES for (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one is COc1cc(C(=O)/C=C/C=C/C2CCCC2)cc(OC)c1OC.
What is the InChIKey of (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one?
The InChIKey is CLQWXRCMWOHHJC-JMQWPVDRSA-N. The full InChI is InChI=1S/C19H24O4/c1-21-17-12-15(13-18(22-2)19(17)23-3)16(20)11-7-6-10-14-8-4-5-9-14/h6-7,10-14H,4-5,8-9H2,1-3H3/b10-6+,11-7+.
What are the key properties of (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one?
(2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one has a molecular weight of 316.40 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-cyclopentyl-1-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one is sourced from PubChem (CID 140607843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).