4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol

C23H22O5 — CID 139828129

IUPAC4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
SMILESCOc1cc(OCc2ccccc2)ccc1C(O)C=Cc1ccc(O)cc1O
InChIInChI=1S/C23H22O5/c1-27-23-14-19(28-15-16-5-3-2-4-6-16)10-11-20(23)21(25)12-8-17-7-9-18(24)13-22(17)26/h2-14,21,24-26H,15H2,1H3
InChIKeyUYYSRRHGEKPRDZ-UHFFFAOYSA-N
MW378.42 g/mol
LogP4.43
Rot. Bonds7

About 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol

4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol (PubChem CID 139828129) has the molecular formula C23H22O5 and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
PubChem CID139828129
Molecular FormulaC23H22O5
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
SMILESCOc1cc(OCc2ccccc2)ccc1C(O)C=Cc1ccc(O)cc1O
InChIInChI=1S/C23H22O5/c1-27-23-14-19(28-15-16-5-3-2-4-6-16)10-11-20(23)21(25)12-8-17-7-9-18(24)13-22(17)26/h2-14,21,24-26H,15H2,1H3
InChIKeyUYYSRRHGEKPRDZ-UHFFFAOYSA-N
XLogP4.43
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-hydroxy-3-(2-hydroxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828428
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-(4-hydroxy-2-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol
CID 139828595
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
2-[3-(2,4-diethoxyphenyl)-1-hydroxyprop-2-enyl]-5-phenylmethoxyphenol
CID 139828265
1-[2,4-bis(phenylmethoxy)phenyl]-3-(2,4-diethoxyphenyl)prop-2-en-1-ol
CID 139828116
[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
3-(2-hydroxy-4-phenylmethoxyphenyl)-1-(2-methoxy-4-phenylmethoxyphenyl)prop-2-en-1-one
CID 139826440

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol?
The IUPAC name of 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol (CID 139828129) is 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol.
What is the SMILES notation for 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol?
The canonical SMILES for 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol is COc1cc(OCc2ccccc2)ccc1C(O)C=Cc1ccc(O)cc1O.
What is the InChIKey of 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol?
The InChIKey is UYYSRRHGEKPRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5/c1-27-23-14-19(28-15-16-5-3-2-4-6-16)10-11-20(23)21(25)12-8-17-7-9-18(24)13-22(17)26/h2-14,21,24-26H,15H2,1H3.
What are the key properties of 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol?
4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol has a molecular weight of 378.42 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-3-(2-methoxy-4-phenylmethoxyphenyl)prop-1-enyl]benzene-1,3-diol is sourced from PubChem (CID 139828129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).