(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate

C22H18O5 — CID 11046658

IUPAC(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate
SMILESCC(=O)Oc1ccc2c3c(cccc13)OC1(CCCc3c(O)cccc31)O2
InChIInChI=1S/C22H18O5/c1-13(23)25-18-10-11-20-21-15(18)5-2-9-19(21)26-22(27-20)12-4-6-14-16(22)7-3-8-17(14)24/h2-3,5,7-11,24H,4,6,12H2,1H3
InChIKeyIWSKDQDVYPFTCV-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.43
Rot. Bonds1

About (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate

(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate (PubChem CID 11046658) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate.

Molecular Properties

Compound Name(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate
PubChem CID11046658
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate
SMILESCC(=O)Oc1ccc2c3c(cccc13)OC1(CCCc3c(O)cccc31)O2
InChIInChI=1S/C22H18O5/c1-13(23)25-18-10-11-20-21-15(18)5-2-9-19(21)26-22(27-20)12-4-6-14-16(22)7-3-8-17(14)24/h2-3,5,7-11,24H,4,6,12H2,1H3
InChIKeyIWSKDQDVYPFTCV-UHFFFAOYSA-N
XLogP4.43
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate with MolForge

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Related Compounds

[(3S)-8'-acetyloxy-4'-oxospiro[2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaene-3,1'-naphthalene]-7-yl] acetate
CID 102413767
(4,9-diacetyloxy-5,6,7,8-tetrahydrophenanthren-1-yl) acetate
CID 11810420
(4'-acetyloxy-7,7'-dimethyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) acetate
CID 58636069
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
(2,6-dihydroxyphenyl) acetate
CID 19910305
triphenylen-1-yl acetate
CID 87276472
(5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 15503045
(2,2-dimethyl-1,3-benzodioxol-4-yl) acetate
CID 91551144
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
(4-acetyloxy-5-oxo-7,8-dihydro-6H-naphthalen-1-yl) acetate
CID 152625052
(7-hydroxy-1H-indol-3-yl) acetate
CID 174769311
spiro[piperidine-4,9'-xanthene]-4'-yl acetate
CID 70579384

Frequently Asked Questions

What is the IUPAC name of (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate?
The IUPAC name of (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate (CID 11046658) is (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate.
What is the SMILES notation for (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate?
The canonical SMILES for (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate is CC(=O)Oc1ccc2c3c(cccc13)OC1(CCCc3c(O)cccc31)O2.
What is the InChIKey of (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate?
The InChIKey is IWSKDQDVYPFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-13(23)25-18-10-11-20-21-15(18)5-2-9-19(21)26-22(27-20)12-4-6-14-16(22)7-3-8-17(14)24/h2-3,5,7-11,24H,4,6,12H2,1H3.
What are the key properties of (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate?
(8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate has a molecular weight of 362.38 g/mol, XLogP of 4.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-hydroxyspiro[2,3-dihydro-1H-naphthalene-4,3'-2,4-dioxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene]-8'-yl) acetate is sourced from PubChem (CID 11046658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).