1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one

C17H18O3 — CID 10635749

IUPAC1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOc1ccc2c(c1)C1(C=CC(=O)C=C1)CC2(C)OC
InChIInChI=1S/C17H18O3/c1-16(20-3)11-17(8-6-12(18)7-9-17)15-10-13(19-2)4-5-14(15)16/h4-10H,11H2,1-3H3
InChIKeyBSAQYBSJULDTLP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.89
Rot. Bonds2

About 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one

1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one (PubChem CID 10635749) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one.

Molecular Properties

Compound Name1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
PubChem CID10635749
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
SMILESCOc1ccc2c(c1)C1(C=CC(=O)C=C1)CC2(C)OC
InChIInChI=1S/C17H18O3/c1-16(20-3)11-17(8-6-12(18)7-9-17)15-10-13(19-2)4-5-14(15)16/h4-10H,11H2,1-3H3
InChIKeyBSAQYBSJULDTLP-UHFFFAOYSA-N
XLogP2.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3'-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10612102
(1R,8S)-4-methoxy-1,8-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 71528122
5-methoxy-3,3-dimethylspiro[2H-indene-1,1'-naphthalene]-2'-one
CID 138963859
3'-iodo-5'-methoxy-2'-(4-methoxyphenyl)spiro[cyclohexa-2,5-diene-4,1'-indene]-1-one
CID 23727727
5-methoxyspiro[1,2-dihydroindene-3,4'-cyclohex-2-ene]-1'-one
CID 164583642
5-methoxy-3-(4-methoxyphenyl)-1,1,3-trimethyl-2H-indene
CID 624568
2-(3-amino-6-methoxy-1,3-dimethyl-2H-inden-1-yl)acetic acid
CID 23356760
4-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
7-methoxy-9,9-dimethylfluorene-2-carbaldehyde
CID 59236603
4-(2,5-dimethoxyphenyl)-4-methyloxane-2,6-dione
CID 82133552
2-(1-aminocyclopropyl)-4-methoxybenzaldehyde
CID 117282260
3'-iodo-5'-methoxy-2'-[5-methoxy-2-(4-methoxyphenyl)phenyl]spiro[cyclohexa-2,5-diene-4,1'-indene]-1-one
CID 23727760

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
The IUPAC name of 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one (CID 10635749) is 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one.
What is the SMILES notation for 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
The canonical SMILES for 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one is COc1ccc2c(c1)C1(C=CC(=O)C=C1)CC2(C)OC.
What is the InChIKey of 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
The InChIKey is BSAQYBSJULDTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-16(20-3)11-17(8-6-12(18)7-9-17)15-10-13(19-2)4-5-14(15)16/h4-10H,11H2,1-3H3.
What are the key properties of 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one?
1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one has a molecular weight of 270.33 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-1-methylspiro[2H-indene-3,4'-cyclohexa-2,5-diene]-1'-one is sourced from PubChem (CID 10635749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).