3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol

C22H28O5 — CID 139828173

IUPAC3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C=CC(O)c2ccc(OCC)cc2OC)c(OCC)c1
InChIInChI=1S/C22H28O5/c1-5-25-17-10-8-16(21(14-17)27-7-3)9-13-20(23)19-12-11-18(26-6-2)15-22(19)24-4/h8-15,20,23H,5-7H2,1-4H3
InChIKeyKVAAOTRRXQKJED-UHFFFAOYSA-N
MW372.46 g/mol
LogP4.64
Rot. Bonds10

About 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol

3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol (PubChem CID 139828173) has the molecular formula C22H28O5 and a molecular weight of 372.46 g/mol. Its IUPAC name is 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
PubChem CID139828173
Molecular FormulaC22H28O5
Molecular Weight372.46 g/mol
Exact Mass372.19
IUPAC Name3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C=CC(O)c2ccc(OCC)cc2OC)c(OCC)c1
InChIInChI=1S/C22H28O5/c1-5-25-17-10-8-16(21(14-17)27-7-3)9-13-20(23)19-12-11-18(26-6-2)15-22(19)24-4/h8-15,20,23H,5-7H2,1-4H3
InChIKeyKVAAOTRRXQKJED-UHFFFAOYSA-N
XLogP4.64
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
CID 139828284
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
CID 139828357
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129
[2-[3-(2,4-dimethoxyphenyl)-1-hydroxyprop-2-enyl]-5-methoxyphenyl] dodecanoate
CID 139828632
4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601
[4-[3-(2,4-diacetyloxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] dodecanoate
CID 139828424
2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
(E)-3-(2,4-diethoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 139826664

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol (CID 139828173) is 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol is CCOc1ccc(C=CC(O)c2ccc(OCC)cc2OC)c(OCC)c1.
What is the InChIKey of 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol?
The InChIKey is KVAAOTRRXQKJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28O5/c1-5-25-17-10-8-16(21(14-17)27-7-3)9-13-20(23)19-12-11-18(26-6-2)15-22(19)24-4/h8-15,20,23H,5-7H2,1-4H3.
What are the key properties of 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol?
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol has a molecular weight of 372.46 g/mol, XLogP of 4.64, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 139828173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).