[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate

C18H23NO8 — CID 146385336

IUPAC[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate
SMILESCOC1C(O)C(OC(N)=O)C(Oc2cccc3c2OC(=O)CC3)OC1(C)C
InChIInChI=1S/C18H23NO8/c1-18(2)15(23-3)12(21)14(26-17(19)22)16(27-18)24-10-6-4-5-9-7-8-11(20)25-13(9)10/h4-6,12,14-16,21H,7-8H2,1-3H3,(H2,19,22)
InChIKeyPOBORCHQHPVEJG-UHFFFAOYSA-N
MW381.38 g/mol
LogP0.89
Rot. Bonds4

About [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate

[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate (PubChem CID 146385336) has the molecular formula C18H23NO8 and a molecular weight of 381.38 g/mol. Its IUPAC name is [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate.

Molecular Properties

Compound Name[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate
PubChem CID146385336
Molecular FormulaC18H23NO8
Molecular Weight381.38 g/mol
Exact Mass381.14
IUPAC Name[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate
SMILESCOC1C(O)C(OC(N)=O)C(Oc2cccc3c2OC(=O)CC3)OC1(C)C
InChIInChI=1S/C18H23NO8/c1-18(2)15(23-3)12(21)14(26-17(19)22)16(27-18)24-10-6-4-5-9-7-8-11(20)25-13(9)10/h4-6,12,14-16,21H,7-8H2,1-3H3,(H2,19,22)
InChIKeyPOBORCHQHPVEJG-UHFFFAOYSA-N
XLogP0.89
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate?
The IUPAC name of [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate (CID 146385336) is [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate.
What is the SMILES notation for [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate?
The canonical SMILES for [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate is COC1C(O)C(OC(N)=O)C(Oc2cccc3c2OC(=O)CC3)OC1(C)C.
What is the InChIKey of [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate?
The InChIKey is POBORCHQHPVEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO8/c1-18(2)15(23-3)12(21)14(26-17(19)22)16(27-18)24-10-6-4-5-9-7-8-11(20)25-13(9)10/h4-6,12,14-16,21H,7-8H2,1-3H3,(H2,19,22).
What are the key properties of [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate?
[4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate has a molecular weight of 381.38 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-5-methoxy-6,6-dimethyl-2-[(2-oxo-3,4-dihydrochromen-8-yl)oxy]oxan-3-yl] carbamate is sourced from PubChem (CID 146385336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).