4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

C23H30O6 — CID 162802262

IUPAC4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)CC(C(C)(C)O)O2
InChIInChI=1S/C23H30O6/c1-12(2)18-20-15(10-17(29-20)23(3,4)26)21(27-13-7-5-6-8-13)19-16(25)9-14(11-24)28-22(18)19/h9,12-13,17,24,26H,5-8,10-11H2,1-4H3
InChIKeyMPAJZGJSQLODOM-UHFFFAOYSA-N
MW402.49 g/mol
LogP3.80
Rot. Bonds5

About 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one

4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one (PubChem CID 162802262) has the molecular formula C23H30O6 and a molecular weight of 402.49 g/mol. Its IUPAC name is 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one.

Molecular Properties

Compound Name4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
PubChem CID162802262
Molecular FormulaC23H30O6
Molecular Weight402.49 g/mol
Exact Mass402.20
IUPAC Name4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one
SMILESCC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)CC(C(C)(C)O)O2
InChIInChI=1S/C23H30O6/c1-12(2)18-20-15(10-17(29-20)23(3,4)26)21(27-13-7-5-6-8-13)19-16(25)9-14(11-24)28-22(18)19/h9,12-13,17,24,26H,5-8,10-11H2,1-4H3
InChIKeyMPAJZGJSQLODOM-UHFFFAOYSA-N
XLogP3.80
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The IUPAC name of 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one (CID 162802262) is 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one.
What is the SMILES notation for 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The canonical SMILES for 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one is CC(C)c1c2c(c(OC3CCCC3)c3c(=O)cc(CO)oc13)CC(C(C)(C)O)O2.
What is the InChIKey of 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
The InChIKey is MPAJZGJSQLODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O6/c1-12(2)18-20-15(10-17(29-20)23(3,4)26)21(27-13-7-5-6-8-13)19-16(25)9-14(11-24)28-22(18)19/h9,12-13,17,24,26H,5-8,10-11H2,1-4H3.
What are the key properties of 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one?
4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one has a molecular weight of 402.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-7-(hydroxymethyl)-2-(2-hydroxypropan-2-yl)-9-propan-2-yl-2,3-dihydrofuro[3,2-g]chromen-5-one is sourced from PubChem (CID 162802262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).