3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol

C11H14O5 — CID 57041223

IUPAC3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
SMILESCOc1cc(C=CC(O)O)cc(OC)c1O
InChIInChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,10,12-14H,1-2H3
InChIKeyKSILAUWRXMUTHQ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.73
Rot. Bonds4

About 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol

3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol (PubChem CID 57041223) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
PubChem CID57041223
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
SMILESCOc1cc(C=CC(O)O)cc(OC)c1O
InChIInChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,10,12-14H,1-2H3
InChIKeyKSILAUWRXMUTHQ-UHFFFAOYSA-N
XLogP0.73
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.73
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

(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol
CID 155216963
4-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethenyl]-2,6-dimethoxyphenol
CID 71361751
(E)-3-amino-5-(4-hydroxy-3,5-dimethoxyphenyl)pent-4-enamide
CID 170875955
2,6-dimethoxy-4-[(E)-2-(4-methylphenyl)ethenyl]phenol
CID 101267278
4-[(E)-3-aminobut-1-enyl]-2-bromo-6-methoxyphenol
CID 103091487
4-[(E)-3-ethoxyprop-1-enyl]-2,6-dimethoxyphenol
CID 13436193
4-[(1E,16Z)-3-hydroxypentacosa-1,16-dienyl]-2,6-dimethoxyphenol
CID 141280976
sodium (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 139662068
(3E,5E)-3,5-bis[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]oxan-4-one
CID 56940959
2-methoxy-6-methyl-4-[(E)-prop-1-enyl]phenol
CID 45266886
(E)-3-[4-hydroxy-3-[2-hydroxy-3-methoxy-5-[(E)-3-oxoprop-1-enyl]phenyl]-5-methoxyphenyl]prop-2-enal
CID 14302930
(E)-4-methyl-1-(3,4,5-trimethoxyphenyl)pent-1-en-3-ol
CID 6446799

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol?
The IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol (CID 57041223) is 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol is COc1cc(C=CC(O)O)cc(OC)c1O.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol?
The InChIKey is KSILAUWRXMUTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,10,12-14H,1-2H3.
What are the key properties of 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol?
3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol has a molecular weight of 226.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-ene-1,1-diol is sourced from PubChem (CID 57041223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).