(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]

C28H26O3 — CID 11058675

IUPAC(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]
SMILESC=CCOc1ccc(C2=C[C@]3(CCc4cc(OC)ccc43)c3ccc(OC)cc32)cc1
InChIInChI=1S/C28H26O3/c1-4-15-31-21-7-5-19(6-8-21)25-18-28(27-12-10-23(30-3)17-24(25)27)14-13-20-16-22(29-2)9-11-26(20)28/h4-12,16-18H,1,13-15H2,2-3H3/t28-/m0/s1
InChIKeyLPXQIZPLAZMEPD-NDEPHWFRSA-N
MW410.51 g/mol
LogP5.95
Rot. Bonds6

About (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]

(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene] (PubChem CID 11058675) has the molecular formula C28H26O3 and a molecular weight of 410.51 g/mol. Its IUPAC name is (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene].

Molecular Properties

Compound Name(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]
PubChem CID11058675
Molecular FormulaC28H26O3
Molecular Weight410.51 g/mol
Exact Mass410.19
IUPAC Name(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]
SMILESC=CCOc1ccc(C2=C[C@]3(CCc4cc(OC)ccc43)c3ccc(OC)cc32)cc1
InChIInChI=1S/C28H26O3/c1-4-15-31-21-7-5-19(6-8-21)25-18-28(27-12-10-23(30-3)17-24(25)27)14-13-20-16-22(29-2)9-11-26(20)28/h4-12,16-18H,1,13-15H2,2-3H3/t28-/m0/s1
InChIKeyLPXQIZPLAZMEPD-NDEPHWFRSA-N
XLogP5.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene] with MolForge

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Related Compounds

(2Z)-6-methoxy-2-[(4-prop-2-enoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 6066357
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
(4aR)-7-methoxy-4a-prop-2-enyl-3,4,9,10-tetrahydrophenanthren-2-one
CID 68835490
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole
CID 59419877
1-bromo-4-(4-prop-2-enoxyphenyl)benzene
CID 71426317
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
2-[1,2-difluoro-2-(4-prop-2-enoxyphenyl)ethenyl]-6-methoxynaphthalene
CID 139863491
5-ethenyl-6-(4-ethoxyphenyl)-2-methoxy-8,9-dihydro-7H-benzo[7]annulene
CID 68754223
6-methoxy-1-(prop-2-enylamino)-2,3-dihydroindene-1-carboxylic acid
CID 79374970

Frequently Asked Questions

What is the IUPAC name of (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]?
The IUPAC name of (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene] (CID 11058675) is (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene].
What is the SMILES notation for (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]?
The canonical SMILES for (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene] is C=CCOc1ccc(C2=C[C@]3(CCc4cc(OC)ccc43)c3ccc(OC)cc32)cc1.
What is the InChIKey of (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]?
The InChIKey is LPXQIZPLAZMEPD-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H26O3/c1-4-15-31-21-7-5-19(6-8-21)25-18-28(27-12-10-23(30-3)17-24(25)27)14-13-20-16-22(29-2)9-11-26(20)28/h4-12,16-18H,1,13-15H2,2-3H3/t28-/m0/s1.
What are the key properties of (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]?
(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene] has a molecular weight of 410.51 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene] is sourced from PubChem (CID 11058675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).