3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid

C18H25O5P — CID 11602776

IUPAC3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid
SMILESCC1(CCCP(=O)(O)O)CCc2cc(O)c3c(c2O1)C1CCC3C1
InChIInChI=1S/C18H25O5P/c1-18(6-2-8-24(20,21)22)7-5-13-10-14(19)15-11-3-4-12(9-11)16(15)17(13)23-18/h10-12,19H,2-9H2,1H3,(H2,20,21,22)
InChIKeyJZHDFGAQRFRRKC-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.80
Rot. Bonds4

About 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid

3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid (PubChem CID 11602776) has the molecular formula C18H25O5P and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid.

Molecular Properties

Compound Name3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid
PubChem CID11602776
Molecular FormulaC18H25O5P
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid
SMILESCC1(CCCP(=O)(O)O)CCc2cc(O)c3c(c2O1)C1CCC3C1
InChIInChI=1S/C18H25O5P/c1-18(6-2-8-24(20,21)22)7-5-13-10-14(19)15-11-3-4-12(9-11)16(15)17(13)23-18/h10-12,19H,2-9H2,1H3,(H2,20,21,22)
InChIKeyJZHDFGAQRFRRKC-UHFFFAOYSA-N
XLogP3.80
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid?
The IUPAC name of 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid (CID 11602776) is 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid.
What is the SMILES notation for 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid?
The canonical SMILES for 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid is CC1(CCCP(=O)(O)O)CCc2cc(O)c3c(c2O1)C1CCC3C1.
What is the InChIKey of 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid?
The InChIKey is JZHDFGAQRFRRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25O5P/c1-18(6-2-8-24(20,21)22)7-5-13-10-14(19)15-11-3-4-12(9-11)16(15)17(13)23-18/h10-12,19H,2-9H2,1H3,(H2,20,21,22).
What are the key properties of 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid?
3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid has a molecular weight of 352.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10-hydroxy-5-methyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-5-yl)propylphosphonic acid is sourced from PubChem (CID 11602776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).