(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

C23H24O6 — CID 174906852

IUPAC(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESCOc1ccc(CO)cc1OC.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C9H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-11-8-4-3-7(6-10)5-9(8)12-2/h1-9,15-17H;3-5,10H,6H2,1-2H3
InChIKeyPVQGCTDXYKPNEV-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.17
Rot. Bonds5

About (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol (PubChem CID 174906852) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
PubChem CID174906852
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Name(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILESCOc1ccc(CO)cc1OC.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1
InChIInChI=1S/C14H12O3.C9H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-11-8-4-3-7(6-10)5-9(8)12-2/h1-9,15-17H;3-5,10H,6H2,1-2H3
InChIKeyPVQGCTDXYKPNEV-UHFFFAOYSA-N
XLogP4.17
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
4-[2-(3,5-dimethoxy-4-methylphenyl)ethenyl]phenol
CID 152550506
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 66805220
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
4-[2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]ethenyl]phenol
CID 173091097
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
[4-(hydroxymethyl)-2-methoxyphenyl] formate
CID 134186869
3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methylphenol
CID 21024515
4-[(Z)-2-(4-hydroxyphenyl)ethenyl]-2-methoxyphenol
CID 10377070
(2S)-4-(3,4-dimethoxyphenyl)but-3-ene-1,2-diol
CID 162958577
(4-methoxy-3-prop-2-enoxyphenyl)methanol
CID 28562283

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The IUPAC name of (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol (CID 174906852) is (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol.
What is the SMILES notation for (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The canonical SMILES for (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol is COc1ccc(CO)cc1OC.Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1.
What is the InChIKey of (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
The InChIKey is PVQGCTDXYKPNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C9H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11;1-11-8-4-3-7(6-10)5-9(8)12-2/h1-9,15-17H;3-5,10H,6H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol?
(3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol has a molecular weight of 396.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methanol;5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol is sourced from PubChem (CID 174906852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).