(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene

C28H30O2 — CID 155468560

IUPAC(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene
SMILESC[C@H]1c2ccccc2C[C@H]1OCc1ccc(CO[C@@H]2Cc3ccccc3[C@@H]2C)cc1
InChIInChI=1S/C28H30O2/c1-19-25-9-5-3-7-23(25)15-27(19)29-17-21-11-13-22(14-12-21)18-30-28-16-24-8-4-6-10-26(24)20(28)2/h3-14,19-20,27-28H,15-18H2,1-2H3/t19-,20-,27+,28+/m0/s1
InChIKeyZAOFLQLBLMPZHD-SEHWEYEPSA-N
MW398.55 g/mol
LogP6.18
Rot. Bonds6

About (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene

(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene (PubChem CID 155468560) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene
PubChem CID155468560
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene
SMILESC[C@H]1c2ccccc2C[C@H]1OCc1ccc(CO[C@@H]2Cc3ccccc3[C@@H]2C)cc1
InChIInChI=1S/C28H30O2/c1-19-25-9-5-3-7-23(25)15-27(19)29-17-21-11-13-22(14-12-21)18-30-28-16-24-8-4-6-10-26(24)20(28)2/h3-14,19-20,27-28H,15-18H2,1-2H3/t19-,20-,27+,28+/m0/s1
InChIKeyZAOFLQLBLMPZHD-SEHWEYEPSA-N
XLogP6.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene with MolForge

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Related Compounds

(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
(1S,2R)-2-phenylmethoxy-2,3-dihydro-1H-inden-1-amine
CID 93419712
2-[3-[(4-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-N,N-dimethylethanamine
CID 150198452
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
[(1R,2S)-1-methyl-2,3-dihydro-1H-inden-2-yl] 3-cyclopropylpropanoate
CID 59032248
(1S,2S)-1,2-dimethyl-2,3-dihydro-1H-indene;ethane;methane
CID 157409915
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-amine;hydrochloride
CID 122155821
1-[2-[(3,5-dimethylphenyl)methoxy]-2,3-dihydro-1H-inden-1-yl]piperazine;dihydrochloride
CID 68927068
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
CID 163961847
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene?
The IUPAC name of (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene (CID 155468560) is (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene.
What is the SMILES notation for (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene?
The canonical SMILES for (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene is C[C@H]1c2ccccc2C[C@H]1OCc1ccc(CO[C@@H]2Cc3ccccc3[C@@H]2C)cc1.
What is the InChIKey of (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene?
The InChIKey is ZAOFLQLBLMPZHD-SEHWEYEPSA-N. The full InChI is InChI=1S/C28H30O2/c1-19-25-9-5-3-7-23(25)15-27(19)29-17-21-11-13-22(14-12-21)18-30-28-16-24-8-4-6-10-26(24)20(28)2/h3-14,19-20,27-28H,15-18H2,1-2H3/t19-,20-,27+,28+/m0/s1.
What are the key properties of (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene?
(1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene has a molecular weight of 398.55 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-methyl-2-[[4-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxymethyl]phenyl]methoxy]-2,3-dihydro-1H-indene is sourced from PubChem (CID 155468560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).