5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol

C25H26O5 — CID 139828357

IUPAC5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
SMILESCCOc1ccc(C=CC(O)c2ccc(OC)cc2OCc2ccccc2)c(O)c1
InChIInChI=1S/C25H26O5/c1-3-29-21-11-9-19(24(27)15-21)10-14-23(26)22-13-12-20(28-2)16-25(22)30-17-18-7-5-4-6-8-18/h4-16,23,26-27H,3,17H2,1-2H3
InChIKeyOCLWSFHBFKBJHT-UHFFFAOYSA-N
MW406.48 g/mol
LogP5.13
Rot. Bonds9

About 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol

5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol (PubChem CID 139828357) has the molecular formula C25H26O5 and a molecular weight of 406.48 g/mol. Its IUPAC name is 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol.

Molecular Properties

Compound Name5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
PubChem CID139828357
Molecular FormulaC25H26O5
Molecular Weight406.48 g/mol
Exact Mass406.18
IUPAC Name5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol
SMILESCCOc1ccc(C=CC(O)c2ccc(OC)cc2OCc2ccccc2)c(O)c1
InChIInChI=1S/C25H26O5/c1-3-29-21-11-9-19(24(27)15-21)10-14-23(26)22-13-12-20(28-2)16-25(22)30-17-18-7-5-4-6-8-18/h4-16,23,26-27H,3,17H2,1-2H3
InChIKeyOCLWSFHBFKBJHT-UHFFFAOYSA-N
XLogP5.13
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.48
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
1-(4-ethoxy-2-phenylmethoxyphenyl)-3-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828459
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
CID 139828511
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
4-[3-hydroxy-3-(4-hydroxy-2-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828595
4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828428
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
CID 139828158
[4-[3-[2,4-bis(phenylmethoxy)phenyl]-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] dodecanoate
CID 139828645
1-(4-ethoxy-2-methoxyphenyl)-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826653

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol?
The IUPAC name of 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol (CID 139828357) is 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol.
What is the SMILES notation for 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol?
The canonical SMILES for 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol is CCOc1ccc(C=CC(O)c2ccc(OC)cc2OCc2ccccc2)c(O)c1.
What is the InChIKey of 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol?
The InChIKey is OCLWSFHBFKBJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O5/c1-3-29-21-11-9-19(24(27)15-21)10-14-23(26)22-13-12-20(28-2)16-25(22)30-17-18-7-5-4-6-8-18/h4-16,23,26-27H,3,17H2,1-2H3.
What are the key properties of 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol?
5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol has a molecular weight of 406.48 g/mol, XLogP of 5.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]phenol is sourced from PubChem (CID 139828357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).