[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate

C16H17O5P — CID 175485766

IUPAC[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate
SMILESC/C=C/c1ccc(OP(=O)(O)Oc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17O5P/c1-3-7-13-10-11-15(16(12-13)19-2)21-22(17,18)20-14-8-5-4-6-9-14/h3-12H,1-2H3,(H,17,18)/b7-3+
InChIKeyVJHCZHDXLUOCER-XVNBXDOJSA-N
MW320.28 g/mol
LogP4.29
Rot. Bonds6

About [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate

[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate (PubChem CID 175485766) has the molecular formula C16H17O5P and a molecular weight of 320.28 g/mol. Its IUPAC name is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate.

Molecular Properties

Compound Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate
PubChem CID175485766
Molecular FormulaC16H17O5P
Molecular Weight320.28 g/mol
Exact Mass320.08
IUPAC Name[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate
SMILESC/C=C/c1ccc(OP(=O)(O)Oc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17O5P/c1-3-7-13-10-11-15(16(12-13)19-2)21-22(17,18)20-14-8-5-4-6-9-14/h3-12H,1-2H3,(H,17,18)/b7-3+
InChIKeyVJHCZHDXLUOCER-XVNBXDOJSA-N
XLogP4.29
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-prop-1-enylphenol;phenyl dihydrogen phosphate
CID 175485767
3-(3-methoxy-4-phosphonooxyphenyl)prop-2-enoic acid
CID 67184403
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
diphenyl hydrogen phosphate;dihydrate
CID 21115845
3-(3-methoxy-4-phenoxyphenyl)prop-2-enoic acid
CID 172757581
1-(2-methoxy-4-prop-1-enylphenoxy)butan-2-one
CID 76931733
N-cyclopropyl-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7973430
3-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]-2-methyl-2-phenylpropanoic acid
CID 120700681
(2-benzamido-2-oxoethyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527714
5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene;phosphoric acid
CID 69301542
1,2-dimethoxy-4-penta-1,3-dienylbenzene
CID 141114401
N-(3,5-dimethoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 7772741

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate?
The IUPAC name of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate (CID 175485766) is [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate.
What is the SMILES notation for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate?
The canonical SMILES for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate is C/C=C/c1ccc(OP(=O)(O)Oc2ccccc2)c(OC)c1.
What is the InChIKey of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate?
The InChIKey is VJHCZHDXLUOCER-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H17O5P/c1-3-7-13-10-11-15(16(12-13)19-2)21-22(17,18)20-14-8-5-4-6-9-14/h3-12H,1-2H3,(H,17,18)/b7-3+.
What are the key properties of [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate?
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate has a molecular weight of 320.28 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[(E)-prop-1-enyl]phenyl] phenyl hydrogen phosphate is sourced from PubChem (CID 175485766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).