[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol

C17H18O5 — CID 123395006

IUPAC[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol
SMILESC=Cc1ccc(COc2cc(OC)c(O)c(C(O)O)c2)cc1
InChIInChI=1S/C17H18O5/c1-3-11-4-6-12(7-5-11)10-22-13-8-14(17(19)20)16(18)15(9-13)21-2/h3-9,17-20H,1,10H2,2H3
InChIKeyYOYBGXWBQKOQQT-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.61
Rot. Bonds6

About [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol

[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol (PubChem CID 123395006) has the molecular formula C17H18O5 and a molecular weight of 302.33 g/mol. Its IUPAC name is [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol.

Molecular Properties

Compound Name[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol
PubChem CID123395006
Molecular FormulaC17H18O5
Molecular Weight302.33 g/mol
Exact Mass302.12
IUPAC Name[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol
SMILESC=Cc1ccc(COc2cc(OC)c(O)c(C(O)O)c2)cc1
InChIInChI=1S/C17H18O5/c1-3-11-4-6-12(7-5-11)10-22-13-8-14(17(19)20)16(18)15(9-13)21-2/h3-9,17-20H,1,10H2,2H3
InChIKeyYOYBGXWBQKOQQT-UHFFFAOYSA-N
XLogP2.61
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethenylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135575615
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-ethenyl-4-[(3-methoxyphenyl)methoxy]benzene
CID 142732471
5-ethenyl-2-[(4-methoxyphenyl)methoxy]benzonitrile
CID 175299155
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
2-[(4-ethenylphenyl)methoxy]-6-hydroxy-4-methylbenzoic acid
CID 89216840
4-[(4-ethenylphenyl)methoxy]-2,3,5,6-tetrafluorophenol
CID 140941316
5-[(3-ethenyl-5-methoxyphenoxy)methyl]-1,3-dimethoxy-2-propan-2-ylbenzene
CID 141085430
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954
4-[[4-(hydroxymethoxy)phenyl]methoxy]-3-methoxybenzaldehyde
CID 168793636
[3,5-bis[2-[2-[4-[(4-ethenylphenyl)methoxy]phenoxy]ethoxy]ethoxy]phenyl]methanol
CID 101241256

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol?
The IUPAC name of [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol (CID 123395006) is [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol.
What is the SMILES notation for [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol?
The canonical SMILES for [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol is C=Cc1ccc(COc2cc(OC)c(O)c(C(O)O)c2)cc1.
What is the InChIKey of [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol?
The InChIKey is YOYBGXWBQKOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O5/c1-3-11-4-6-12(7-5-11)10-22-13-8-14(17(19)20)16(18)15(9-13)21-2/h3-9,17-20H,1,10H2,2H3.
What are the key properties of [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol?
[5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol has a molecular weight of 302.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethenylphenyl)methoxy]-2-hydroxy-3-methoxyphenyl]methanediol is sourced from PubChem (CID 123395006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).