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

C33H34O5 — CID 139828116

IUPAC1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C=CC(O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(OCC)c1
InChIInChI=1S/C33H34O5/c1-3-35-28-17-15-27(32(21-28)36-4-2)16-20-31(34)30-19-18-29(37-23-25-11-7-5-8-12-25)22-33(30)38-24-26-13-9-6-10-14-26/h5-22,31,34H,3-4,23-24H2,1-2H3
InChIKeyGMZDVEODIDJVOD-UHFFFAOYSA-N
MW510.63 g/mol
LogP7.39
Rot. Bonds13

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

1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol (PubChem CID 139828116) has the molecular formula C33H34O5 and a molecular weight of 510.63 g/mol. Its IUPAC name is 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
PubChem CID139828116
Molecular FormulaC33H34O5
Molecular Weight510.63 g/mol
Exact Mass510.24
IUPAC Name1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
SMILESCCOc1ccc(C=CC(O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(OCC)c1
InChIInChI=1S/C33H34O5/c1-3-35-28-17-15-27(32(21-28)36-4-2)16-20-31(34)30-19-18-29(37-23-25-11-7-5-8-12-25)22-33(30)38-24-26-13-9-6-10-14-26/h5-22,31,34H,3-4,23-24H2,1-2H3
InChIKeyGMZDVEODIDJVOD-UHFFFAOYSA-N
XLogP7.39
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.63
LogP ≤ 57.39
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
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-[2,4-bis(phenylmethoxy)phenyl]-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] dodecanoate
CID 139828645
2-[3-hydroxy-3-(4-methoxy-2-phenylmethoxyphenyl)prop-1-enyl]-5-methoxyphenol
CID 139828577
3-(2,4-diethoxyphenyl)-1-(4-ethoxy-2-methoxyphenyl)prop-2-en-1-ol
CID 139828173
[3-acetyloxy-4-[3-(2-acetyloxy-4-phenylmethoxyphenyl)-3-hydroxyprop-1-enyl]phenyl] acetate
CID 139828502
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828129
[4-[3-(2-acetyloxy-4-hydroxyphenyl)-1-hydroxyprop-2-enyl]-3-phenylmethoxyphenyl] acetate
CID 139828158
3-[2,4-bis(phenylmethoxy)phenyl]-1-(2,4-diethoxyphenyl)prop-2-en-1-one
CID 139826532
(E)-1-[2,4-bis(phenylmethoxy)phenyl]oct-1-en-3-ol
CID 70461454

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol (CID 139828116) is 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol is CCOc1ccc(C=CC(O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c(OCC)c1.
What is the InChIKey of 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol?
The InChIKey is GMZDVEODIDJVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O5/c1-3-35-28-17-15-27(32(21-28)36-4-2)16-20-31(34)30-19-18-29(37-23-25-11-7-5-8-12-25)22-33(30)38-24-26-13-9-6-10-14-26/h5-22,31,34H,3-4,23-24H2,1-2H3.
What are the key properties of 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol?
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol has a molecular weight of 510.63 g/mol, XLogP of 7.39, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 139828116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).