2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate

C16H19O6P — CID 175485767

IUPAC2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate
SMILESCC=Cc1ccc(O)c(OC)c1.O=P(O)(O)Oc1ccccc1
InChIInChI=1S/C10H12O2.C6H7O4P/c1-3-4-8-5-6-9(11)10(7-8)12-2;7-11(8,9)10-6-4-2-1-3-5-6/h3-7,11H,1-2H3;1-5H,(H2,7,8,9)
InChIKeyAKOCJONRIJGCKF-UHFFFAOYSA-N
MW338.30 g/mol
LogP3.59
Rot. Bonds4

About 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate

2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate (PubChem CID 175485767) has the molecular formula C16H19O6P and a molecular weight of 338.30 g/mol. Its IUPAC name is 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate.

Molecular Properties

Compound Name2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate
PubChem CID175485767
Molecular FormulaC16H19O6P
Molecular Weight338.30 g/mol
Exact Mass338.09
IUPAC Name2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate
SMILESCC=Cc1ccc(O)c(OC)c1.O=P(O)(O)Oc1ccccc1
InChIInChI=1S/C10H12O2.C6H7O4P/c1-3-4-8-5-6-9(11)10(7-8)12-2;7-11(8,9)10-6-4-2-1-3-5-6/h3-7,11H,1-2H3;1-5H,(H2,7,8,9)
InChIKeyAKOCJONRIJGCKF-UHFFFAOYSA-N
XLogP3.59
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.30
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate
CID 175485766
4-hydroxy-3-methoxybenzaldehyde;triphenoxy(sulfanylidene)-λ5-phosphane
CID 175505824
(E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 161331939
2-hydroxyacetamide;2-methoxy-4-prop-1-enylphenol
CID 162206225
3-(4-hydroxy-3-methoxyphenyl)prop-2-enal;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 172694499
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenyl]ethenyl]-2-methoxyphenol
CID 11406193
ethane;(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
CID 145227199
(2E,4E)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dienoic acid
CID 14053117
benzene;(1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 174945129
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
(1E)-1-(4-hydroxy-3-methoxyphenyl)-7-phenylhepta-1,6-diene-3,5-dione
CID 141082674
4-chloro-3,5-dimethylphenol;2-methoxy-4-[(E)-prop-1-enyl]phenol
CID 155412642

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate?
The IUPAC name of 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate (CID 175485767) is 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate.
What is the SMILES notation for 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate?
The canonical SMILES for 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate is CC=Cc1ccc(O)c(OC)c1.O=P(O)(O)Oc1ccccc1.
What is the InChIKey of 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate?
The InChIKey is AKOCJONRIJGCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C6H7O4P/c1-3-4-8-5-6-9(11)10(7-8)12-2;7-11(8,9)10-6-4-2-1-3-5-6/h3-7,11H,1-2H3;1-5H,(H2,7,8,9).
What are the key properties of 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate?
2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate has a molecular weight of 338.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate is sourced from PubChem (CID 175485767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).