(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene

C16H22O — CID 25269693

IUPAC(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1C)[C@H](C=C(C)C)C[C@H]2C
InChIInChI=1S/C16H22O/c1-10(2)6-13-7-11(3)14-9-16(17-5)12(4)8-15(13)14/h6,8-9,11,13H,7H2,1-5H3/t11-,13-/m1/s1
InChIKeyQORAPABCLIHCNY-DGCLKSJQSA-N
MW230.35 g/mol
LogP4.56
Rot. Bonds2

About (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene

(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene (PubChem CID 25269693) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
PubChem CID25269693
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
SMILESCOc1cc2c(cc1C)[C@H](C=C(C)C)C[C@H]2C
InChIInChI=1S/C16H22O/c1-10(2)6-13-7-11(3)14-9-16(17-5)12(4)8-15(13)14/h6,8-9,11,13H,7H2,1-5H3/t11-,13-/m1/s1
InChIKeyQORAPABCLIHCNY-DGCLKSJQSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R,3R)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene
CID 102423808
methyl 2-[(1S)-5-methoxy-3,6-dimethyl-2,3-dihydro-1H-inden-1-yl]acetate
CID 134861871
(1S)-1-[(2R,4R)-6-methoxy-4,7-dimethyl-3,4-dihydro-2H-chromen-2-yl]ethanol
CID 56957518
1-bromo-5,6-dimethoxy-3-methyl-2,3-dihydro-1H-indene
CID 63821934
3-methoxy-5,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 163922079
(3R,5S)-5-ethenyl-7-methoxy-2,2,8-trimethyl-4,5-dihydro-3H-1-benzoxepin-3-ol
CID 101446235
(1S)-7-methoxy-1,6-dimethyl-1,2-dihydronaphthalene
CID 25269348
2-(2,5-dimethoxy-4-methylphenyl)-1-methylcyclopropane-1-carbonitrile
CID 116842028
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
2-(4-methoxy-2,5-dimethylphenyl)oxirane
CID 82074963
(1S)-6-methoxy-7-methyl-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 42611556
(1R)-7-methoxy-1,6-dimethyl-4-propan-2-yl-1,2-dihydronaphthalene
CID 162910132

Frequently Asked Questions

What is the IUPAC name of (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene?
The IUPAC name of (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene (CID 25269693) is (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene is COc1cc2c(cc1C)[C@H](C=C(C)C)C[C@H]2C.
What is the InChIKey of (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene?
The InChIKey is QORAPABCLIHCNY-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H22O/c1-10(2)6-13-7-11(3)14-9-16(17-5)12(4)8-15(13)14/h6,8-9,11,13H,7H2,1-5H3/t11-,13-/m1/s1.
What are the key properties of (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene?
(1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene has a molecular weight of 230.35 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S)-6-methoxy-1,5-dimethyl-3-(2-methylprop-1-enyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 25269693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).