1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol

C32H32O5 — CID 139828459

IUPAC1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C(O)C=Cc2ccc(OCc3ccccc3)cc2OC)c(OCc2ccccc2)c1
InChIInChI=1S/C32H32O5/c1-3-35-27-17-18-29(32(21-27)37-23-25-12-8-5-9-13-25)30(33)19-15-26-14-16-28(20-31(26)34-2)36-22-24-10-6-4-7-11-24/h4-21,30,33H,3,22-23H2,1-2H3
InChIKeyWNHIWNIGUSXKPU-UHFFFAOYSA-N
MW496.60 g/mol
LogP7.00
Rot. Bonds12

About 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol

1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol (PubChem CID 139828459) has the molecular formula C32H32O5 and a molecular weight of 496.60 g/mol. Its IUPAC name is 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
PubChem CID139828459
Molecular FormulaC32H32O5
Molecular Weight496.60 g/mol
Exact Mass496.22
IUPAC Name1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C(O)C=Cc2ccc(OCc3ccccc3)cc2OC)c(OCc2ccccc2)c1
InChIInChI=1S/C32H32O5/c1-3-35-27-17-18-29(32(21-27)37-23-25-12-8-5-9-13-25)30(33)19-15-26-14-16-28(20-31(26)34-2)36-22-24-10-6-4-7-11-24/h4-21,30,33H,3,22-23H2,1-2H3
InChIKeyWNHIWNIGUSXKPU-UHFFFAOYSA-N
XLogP7.00
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
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
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[4-[3-[2,4-bis(phenylmethoxy)phenyl]-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] dodecanoate
CID 139828645
[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502
[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
CID 139828158
3-(4-ethoxy-2-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826426
[4-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-3-methoxyphenyl] acetate
CID 139828284

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol (CID 139828459) is 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol is CCOc1ccc(C(O)C=Cc2ccc(OCc3ccccc3)cc2OC)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
The InChIKey is WNHIWNIGUSXKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O5/c1-3-35-27-17-18-29(32(21-27)37-23-25-12-8-5-9-13-25)30(33)19-15-26-14-16-28(20-31(26)34-2)36-22-24-10-6-4-7-11-24/h4-21,30,33H,3,22-23H2,1-2H3.
What are the key properties of 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol?
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol has a molecular weight of 496.60 g/mol, XLogP of 7.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 139828459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).