3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate

C9H11O5P — CID 54141331

IUPAC3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H11O5P/c10-15(11,12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12)
InChIKeyOBHUCWWWSYXCPI-UHFFFAOYSA-N
MW230.16 g/mol
LogP1.48
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate

3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate (PubChem CID 54141331) has the molecular formula C9H11O5P and a molecular weight of 230.16 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate
PubChem CID54141331
Molecular FormulaC9H11O5P
Molecular Weight230.16 g/mol
Exact Mass230.03
IUPAC Name3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H11O5P/c10-15(11,12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12)
InChIKeyOBHUCWWWSYXCPI-UHFFFAOYSA-N
XLogP1.48
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.16
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-dihydro-2H-chromen-6-yl 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

3,4-dihydro-2H-chromen-6-yl 2,2-dimethylpropanoate
CID 130250466
3-(3,4-dihydro-2H-chromen-6-yloxy)-N,N-dimethylpropanamide
CID 141195389
3,4-dihydro-2H-chromene-6-sulfonic acid
CID 22471808
6-[4-[4-(3,4-dihydro-2H-chromen-6-yl)phenyl]phenyl]-3,4-dihydro-2H-chromene
CID 71339532
N-(3,4-dihydro-2H-chromen-6-yl)-4-methoxybenzamide
CID 110726170
3,4-dihydro-2H-chromene-6-sulfinic acid
CID 56986109
4-(3,4-dihydro-2H-chromen-6-yloxy)piperidine
CID 28815096
3-(3,4-dihydro-2H-chromen-6-yloxy)-1-piperidin-1-ylpropan-1-one
CID 141195466
4-(3,4-dihydro-2H-chromen-6-yloxy)-1-pyrrol-1-ylbutan-1-one
CID 141195435
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(4-fluorophenoxy)acetamide
CID 110784257
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
3,4-dihydro-2H-chromene-6-sulfonyl chloride;ethane
CID 123201735

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate (CID 54141331) is 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate is O=P(O)(O)Oc1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate?
The InChIKey is OBHUCWWWSYXCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O5P/c10-15(11,12)14-8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6H,1-2,5H2,(H2,10,11,12).
What are the key properties of 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate?
3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate has a molecular weight of 230.16 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl dihydrogen phosphate is sourced from PubChem (CID 54141331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).