6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene

C26H30O2 — CID 166092038

IUPAC6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene
SMILESCOc1cccc(CCC2=C3CC(OC)CC3CC=C2Cc2ccccc2)c1
InChIInChI=1S/C26H30O2/c1-27-23-10-6-9-20(16-23)11-14-25-21(15-19-7-4-3-5-8-19)12-13-22-17-24(28-2)18-26(22)25/h3-10,12,16,22,24H,11,13-15,17-18H2,1-2H3
InChIKeyWCFZADYVLONCAR-UHFFFAOYSA-N
MW374.52 g/mol
LogP5.92
Rot. Bonds7

About 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene

6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene (PubChem CID 166092038) has the molecular formula C26H30O2 and a molecular weight of 374.52 g/mol. Its IUPAC name is 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene.

Molecular Properties

Compound Name6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene
PubChem CID166092038
Molecular FormulaC26H30O2
Molecular Weight374.52 g/mol
Exact Mass374.22
IUPAC Name6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene
SMILESCOc1cccc(CCC2=C3CC(OC)CC3CC=C2Cc2ccccc2)c1
InChIInChI=1S/C26H30O2/c1-27-23-10-6-9-20(16-23)11-14-25-21(15-19-7-4-3-5-8-19)12-13-22-17-24(28-2)18-26(22)25/h3-10,12,16,22,24H,11,13-15,17-18H2,1-2H3
InChIKeyWCFZADYVLONCAR-UHFFFAOYSA-N
XLogP5.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3aS)-6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-3a-methyl-1,2,3,4-tetrahydroindene
CID 168831705
(2R,3aS)-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-3a,6-dimethyl-1,2,3,4-tetrahydroindene
CID 168831701
3-methoxy-N-[(3-methoxyphenyl)methyl]cyclobutan-1-amine
CID 104587979
1-methoxy-3-propylbenzene
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benzaldehyde;2-(3-methoxyphenyl)ethanamine
CID 89401887
1-methoxy-3-nonadecylbenzene
CID 154507578
N-[2-(3-methoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 5195618
(2R,5S)-2,5-bis[2-(3-methoxyphenyl)ethyl]pyrrolidine
CID 71624271
1-cyclopropyl-3-(3-methoxyphenyl)propan-1-ol
CID 63354159
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene?
The IUPAC name of 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene (CID 166092038) is 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene.
What is the SMILES notation for 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene?
The canonical SMILES for 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene is COc1cccc(CCC2=C3CC(OC)CC3CC=C2Cc2ccccc2)c1.
What is the InChIKey of 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene?
The InChIKey is WCFZADYVLONCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O2/c1-27-23-10-6-9-20(16-23)11-14-25-21(15-19-7-4-3-5-8-19)12-13-22-17-24(28-2)18-26(22)25/h3-10,12,16,22,24H,11,13-15,17-18H2,1-2H3.
What are the key properties of 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene?
6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene has a molecular weight of 374.52 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methoxy-7-[2-(3-methoxyphenyl)ethyl]-2,3,3a,4-tetrahydro-1H-indene is sourced from PubChem (CID 166092038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).