2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene

C17H27O5PS — CID 15590660

IUPAC2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene
SMILESCCCSP(=O)(OC)Oc1ccc2c(c1)OC(C)(OC)CC2(C)C
InChIInChI=1S/C17H27O5PS/c1-7-10-24-23(18,20-6)22-13-8-9-14-15(11-13)21-17(4,19-5)12-16(14,2)3/h8-9,11H,7,10,12H2,1-6H3
InChIKeyKVMPTQNCDCWOTQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.39
Rot. Bonds7

About 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene

2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene (PubChem CID 15590660) has the molecular formula C17H27O5PS and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene.

Molecular Properties

Compound Name2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene
PubChem CID15590660
Molecular FormulaC17H27O5PS
Molecular Weight374.44 g/mol
Exact Mass374.13
IUPAC Name2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene
SMILESCCCSP(=O)(OC)Oc1ccc2c(c1)OC(C)(OC)CC2(C)C
InChIInChI=1S/C17H27O5PS/c1-7-10-24-23(18,20-6)22-13-8-9-14-15(11-13)21-17(4,19-5)12-16(14,2)3/h8-9,11H,7,10,12H2,1-6H3
InChIKeyKVMPTQNCDCWOTQ-UHFFFAOYSA-N
XLogP5.39
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene?
The IUPAC name of 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene (CID 15590660) is 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene.
What is the SMILES notation for 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene?
The canonical SMILES for 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene is CCCSP(=O)(OC)Oc1ccc2c(c1)OC(C)(OC)CC2(C)C.
What is the InChIKey of 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene?
The InChIKey is KVMPTQNCDCWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O5PS/c1-7-10-24-23(18,20-6)22-13-8-9-14-15(11-13)21-17(4,19-5)12-16(14,2)3/h8-9,11H,7,10,12H2,1-6H3.
What are the key properties of 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene?
2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene has a molecular weight of 374.44 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-[methoxy(propylsulfanyl)phosphoryl]oxy-2,4,4-trimethyl-3H-chromene is sourced from PubChem (CID 15590660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).