(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene

C24H24O2 — CID 101346983

IUPAC(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene
SMILESCOc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2c1ccccc1
InChIInChI=1S/C24H24O2/c1-24(18-12-8-5-9-13-18)16-20(17-10-6-4-7-11-17)19-14-22(25-2)23(26-3)15-21(19)24/h4-15,20H,16H2,1-3H3/t20-,24+/m1/s1
InChIKeyGFWZNEHKFCWZCT-YKSBVNFPSA-N
MW344.45 g/mol
LogP5.55
Rot. Bonds4

About (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene

(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene (PubChem CID 101346983) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene.

Molecular Properties

Compound Name(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene
PubChem CID101346983
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene
SMILESCOc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2c1ccccc1
InChIInChI=1S/C24H24O2/c1-24(18-12-8-5-9-13-18)16-20(17-10-6-4-7-11-17)19-14-22(25-2)23(26-3)15-21(19)24/h4-15,20H,16H2,1-3H3/t20-,24+/m1/s1
InChIKeyGFWZNEHKFCWZCT-YKSBVNFPSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,3S)-5,6-dimethoxy-3-methyl-3-phenyl-1,2-dihydroinden-1-yl]-1,2-oxazole-5-carboxamide
CID 73438800
6,7-dimethoxy-1-phenylspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
CID 112511948
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
(2R,4R)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 15657175
(2R,4S)-6,7-dimethoxy-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 10446565
3,3-diethyl-7,8-dimethoxy-5-phenyl-1,2,4,5-tetrahydro-1,4-benzodiazepine
CID 142644287
5,6-dimethoxy-2,2,3,3-tetramethyl-1-phenylsulfanyl-1H-indene
CID 134982595
6,7-dimethoxy-4-phenyl-3,4-dihydronaphthalene-2-carboxylic acid
CID 102167345
6-(bromomethyl)-3,3-dimethyl-1-phenyl-1,2-dihydroindene
CID 118526484
1-(4,5-dimethoxy-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaenyl)-4,5-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9,11,13,15,17,19-nonaene
CID 15362649
5,6-dimethoxy-N,3,3-trimethyl-1,2-dihydroinden-1-amine
CID 79838516
2,3-dimethoxy-9,9-dimethylfluorene
CID 134997139

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene?
The IUPAC name of (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene (CID 101346983) is (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene.
What is the SMILES notation for (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene?
The canonical SMILES for (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene is COc1cc2c(cc1OC)[C@](C)(c1ccccc1)C[C@@H]2c1ccccc1.
What is the InChIKey of (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene?
The InChIKey is GFWZNEHKFCWZCT-YKSBVNFPSA-N. The full InChI is InChI=1S/C24H24O2/c1-24(18-12-8-5-9-13-18)16-20(17-10-6-4-7-11-17)19-14-22(25-2)23(26-3)15-21(19)24/h4-15,20H,16H2,1-3H3/t20-,24+/m1/s1.
What are the key properties of (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene?
(1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene has a molecular weight of 344.45 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-5,6-dimethoxy-3-methyl-1,3-diphenyl-1,2-dihydroindene is sourced from PubChem (CID 101346983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).