3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol

C37H34O5 — CID 139828511

IUPAC3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C37H34O5/c1-39-32-20-21-34(37(23-32)42-27-30-15-9-4-10-16-30)35(38)22-18-31-17-19-33(40-25-28-11-5-2-6-12-28)24-36(31)41-26-29-13-7-3-8-14-29/h2-24,35,38H,25-27H2,1H3
InChIKeyGLYIBOUTZKMHPG-UHFFFAOYSA-N
MW558.67 g/mol
LogP8.18
Rot. Bonds13

About 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol

3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol (PubChem CID 139828511) has the molecular formula C37H34O5 and a molecular weight of 558.67 g/mol. Its IUPAC name is 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
PubChem CID139828511
Molecular FormulaC37H34O5
Molecular Weight558.67 g/mol
Exact Mass558.24
IUPAC Name3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(OCc2ccccc2)c1
InChIInChI=1S/C37H34O5/c1-39-32-20-21-34(37(23-32)42-27-30-15-9-4-10-16-30)35(38)22-18-31-17-19-33(40-25-28-11-5-2-6-12-28)24-36(31)41-26-29-13-7-3-8-14-29/h2-24,35,38H,25-27H2,1H3
InChIKeyGLYIBOUTZKMHPG-UHFFFAOYSA-N
XLogP8.18
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 58.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
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-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
[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-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
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

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol (CID 139828511) is 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol is COc1ccc(C(O)C=Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(OCc2ccccc2)c1.
What is the InChIKey of 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol?
The InChIKey is GLYIBOUTZKMHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H34O5/c1-39-32-20-21-34(37(23-32)42-27-30-15-9-4-10-16-30)35(38)22-18-31-17-19-33(40-25-28-11-5-2-6-12-28)24-36(31)41-26-29-13-7-3-8-14-29/h2-24,35,38H,25-27H2,1H3.
What are the key properties of 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol?
3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol has a molecular weight of 558.67 g/mol, XLogP of 8.18, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(phenylmethoxy)phenyl]-1-(4-methoxy-2-phenylmethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 139828511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).