(4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol

C17H22O3 — CID 10588394

IUPAC(4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol
SMILESC/C=C1\c2ccccc2C2(CC2)C(C)(O)C1(OC)OC
InChIInChI=1S/C17H22O3/c1-5-13-12-8-6-7-9-14(12)16(10-11-16)15(2,18)17(13,19-3)20-4/h5-9,18H,10-11H2,1-4H3/b13-5+
InChIKeyRSNKWELYOAUIDY-WLRTZDKTSA-N
MW274.36 g/mol
LogP2.88
Rot. Bonds2

About (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol

(4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol (PubChem CID 10588394) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol.

Molecular Properties

Compound Name(4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol
PubChem CID10588394
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name(4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol
SMILESC/C=C1\c2ccccc2C2(CC2)C(C)(O)C1(OC)OC
InChIInChI=1S/C17H22O3/c1-5-13-12-8-6-7-9-14(12)16(10-11-16)15(2,18)17(13,19-3)20-4/h5-9,18H,10-11H2,1-4H3/b13-5+
InChIKeyRSNKWELYOAUIDY-WLRTZDKTSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3'-ethylidene-1'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-ol
CID 142663531
ethane;9-methoxy-9-methylfluorene
CID 91285741
(2E,3Z)-2,3-di(ethylidene)spiro[cyclohexane-1,9'-fluorene]
CID 156812497
3'-methoxy-3'-methylspiro[1,3-dihydroindene-2,2'-indene]-1'-one
CID 142663538
methane;9-methylfluoren-9-ol
CID 160708378
3-methoxy-3-methyl-2-benzofuran-1-one
CID 15483639
methyl (2E)-2-(3-methoxy-3-methyl-2-benzofuran-1-ylidene)acetate
CID 23248867
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl] 9-hydroxyfluorene-9-carboxylate
CID 11396585
[(5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]oct-6-en-3-yl] 9-hydroxyfluorene-9-carboxylate
CID 59107042
1-(1-fluorocyclopropyl)-2-methoxybenzene
CID 22940038
(2Z,3E)-3-ethylidene-1,1-dimethyl-2-(2-methylprop-2-enylidene)indene
CID 143938225
(2R,3aR)-3a-methoxy-2-methyl-4,5-dihydro-3H-benzo[g]indol-2-ol
CID 139039107

Frequently Asked Questions

What is the IUPAC name of (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol?
The IUPAC name of (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol (CID 10588394) is (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol.
What is the SMILES notation for (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol?
The canonical SMILES for (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol is C/C=C1\c2ccccc2C2(CC2)C(C)(O)C1(OC)OC.
What is the InChIKey of (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol?
The InChIKey is RSNKWELYOAUIDY-WLRTZDKTSA-N. The full InChI is InChI=1S/C17H22O3/c1-5-13-12-8-6-7-9-14(12)16(10-11-16)15(2,18)17(13,19-3)20-4/h5-9,18H,10-11H2,1-4H3/b13-5+.
What are the key properties of (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol?
(4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol has a molecular weight of 274.36 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4'E)-4'-ethylidene-3',3'-dimethoxy-2'-methylspiro[cyclopropane-1,1'-naphthalene]-2'-ol is sourced from PubChem (CID 10588394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).