4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene

C27H28O — CID 70863349

IUPAC4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene
SMILESCc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC2C(C)C32)c1C
InChIInChI=1S/C27H28O/c1-16-7-5-8-17(2)26(16)23-10-6-9-20(18(23)3)15-28-22-11-12-24-21(13-22)14-25-19(4)27(24)25/h5-13,19,25,27H,14-15H2,1-4H3
InChIKeySMQKNRXOFYKDMH-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.76
Rot. Bonds4

About 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene

4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene (PubChem CID 70863349) has the molecular formula C27H28O and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene.

Molecular Properties

Compound Name4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene
PubChem CID70863349
Molecular FormulaC27H28O
Molecular Weight368.52 g/mol
Exact Mass368.21
IUPAC Name4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene
SMILESCc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC2C(C)C32)c1C
InChIInChI=1S/C27H28O/c1-16-7-5-8-17(2)26(16)23-10-6-9-20(18(23)3)15-28-22-11-12-24-21(13-22)14-25-19(4)27(24)25/h5-13,19,25,27H,14-15H2,1-4H3
InChIKeySMQKNRXOFYKDMH-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene with MolForge

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Related Compounds

3-[2-methyl-3-[(1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl)oxymethyl]phenyl]-2,7-bis(trifluoromethyl)imidazo[1,2-a]pyridine
CID 89440971
4-[[3-(2-chloro-4-methoxy-6-methylphenyl)-2-methylphenyl]methoxy]-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 59450530
2-[5-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetaldehyde
CID 87126217
5-[[5-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methyl]-2H-tetrazole
CID 70837675
[5-[[3-[4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]methanamine
CID 70836604
1'-[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]spiro[indene-1,4'-piperidine]
CID 129222550
2-[5-[[3-[4-[(2S)-2,3-dihydroxypropoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetic acid
CID 66725449
2-[3,5-dimethyl-4-[2-methyl-3-[[1-(2H-tetrazol-5-ylmethyl)-2,3-dihydro-1H-inden-5-yl]oxymethyl]phenyl]phenoxy]ethanol
CID 70837679
2-[5-[[3-[4-[(2,2-dimethyl-1,3-dioxan-5-yl)methoxy]-2,6-dimethylphenyl]-2-methylphenyl]methoxy]spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-yl]acetaldehyde
CID 58083060
cis-(1S,2R)-3-[[5-[3-[[(1S,1aR,6aS)-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]inden-4-yl]oxymethyl]-4-fluorophenyl]-6-methyl-2-pyridinyl]oxymethyl]cyclohexane-1,2-diol
CID 129222543
2-[6-[[3-(4-hydroxy-2,6-dimethylphenyl)-2-methylphenyl]methoxy]spiro[3H-1-benzofuran-2,1'-cyclopropane]-3-yl]propanoic acid
CID 66725688
sodium 2-[3-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-9H-fluoren-9-yl]acetate
CID 66725827

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
The IUPAC name of 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene (CID 70863349) is 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene.
What is the SMILES notation for 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
The canonical SMILES for 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene is Cc1cccc(C)c1-c1cccc(COc2ccc3c(c2)CC2C(C)C32)c1C.
What is the InChIKey of 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
The InChIKey is SMQKNRXOFYKDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O/c1-16-7-5-8-17(2)26(16)23-10-6-9-20(18(23)3)15-28-22-11-12-24-21(13-22)14-25-19(4)27(24)25/h5-13,19,25,27H,14-15H2,1-4H3.
What are the key properties of 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene?
4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene has a molecular weight of 368.52 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(2,6-dimethylphenyl)-2-methylphenyl]methoxy]-1-methyl-1,1a,6,6a-tetrahydrocyclopropa[a]indene is sourced from PubChem (CID 70863349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).