(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

C23H26O5 — CID 70018708

IUPAC(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESC/C=C/C(C)Oc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H26O5/c1-6-7-16(2)28-19-11-9-18(10-12-19)20(24)13-8-17-14-21(25-3)23(27-5)22(15-17)26-4/h6-16H,1-5H3/b7-6+,13-8+
InChIKeyQDOALOOTFRTRMJ-GTTXMNNRSA-N
MW382.46 g/mol
LogP4.95
Rot. Bonds9

About (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (PubChem CID 70018708) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
PubChem CID70018708
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
SMILESC/C=C/C(C)Oc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C23H26O5/c1-6-7-16(2)28-19-11-9-18(10-12-19)20(24)13-8-17-14-21(25-3)23(27-5)22(15-17)26-4/h6-16H,1-5H3/b7-6+,13-8+
InChIKeyQDOALOOTFRTRMJ-GTTXMNNRSA-N
XLogP4.95
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-1-[4-[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 71835462
(E)-1-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 7515639
N-propan-2-yl-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenoxy]acetamide
CID 10916657
(E)-1-(4-methoxy-3-methylphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 10712323
(E)-3-[4-(difluoromethoxy)-3,5-dimethoxyphenyl]-1-(4-methylphenyl)prop-2-en-1-one
CID 8832766
3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4824259
[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl] 2-bromobenzoate
CID 6125806
[3-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]boronic acid
CID 87055749
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
CID 6214893
(E)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 8829771
(E)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 31473603
3-(6-methoxynaphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 4815904

Frequently Asked Questions

What is the IUPAC name of (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (CID 70018708) is (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is C/C=C/C(C)Oc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
The InChIKey is QDOALOOTFRTRMJ-GTTXMNNRSA-N. The full InChI is InChI=1S/C23H26O5/c1-6-7-16(2)28-19-11-9-18(10-12-19)20(24)13-8-17-14-21(25-3)23(27-5)22(15-17)26-4/h6-16H,1-5H3/b7-6+,13-8+.
What are the key properties of (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one?
(E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one has a molecular weight of 382.46 g/mol, XLogP of 4.95, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-[(E)-pent-3-en-2-yl]oxyphenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 70018708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).