ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene

C23H26O — CID 143505686

IUPACethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene
SMILESCC.COc1ccc2ccccc2c1-c1cc2c(cc1C)CCC2
InChIInChI=1S/C21H20O.C2H6/c1-14-12-16-7-5-8-17(16)13-19(14)21-18-9-4-3-6-15(18)10-11-20(21)22-2;1-2/h3-4,6,9-13H,5,7-8H2,1-2H3;1-2H3
InChIKeyYZXCMMBMERIVDH-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.34
Rot. Bonds2

About ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene

ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene (PubChem CID 143505686) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene.

Molecular Properties

Compound Nameethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene
PubChem CID143505686
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Nameethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene
SMILESCC.COc1ccc2ccccc2c1-c1cc2c(cc1C)CCC2
InChIInChI=1S/C21H20O.C2H6/c1-14-12-16-7-5-8-17(16)13-19(14)21-18-9-4-3-6-15(18)10-11-20(21)22-2;1-2/h3-4,6,9-13H,5,7-8H2,1-2H3;1-2H3
InChIKeyYZXCMMBMERIVDH-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)phenyl]-2-methoxynaphthalene
CID 169227684
1,2-dicyclohexyl-4-(2-methoxynaphthalen-1-yl)naphthalene
CID 173098398
1-(2-methoxynaphthalen-1-yl)-3,4-dihydronaphthalen-2-ol
CID 162414492
[1-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]oxyphosphane
CID 129073654
7-(2-methoxynaphthalen-1-yl)benzo[a]anthracene
CID 71619168
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
CID 132597550
1-(2-methoxynaphthalen-1-yl)-3-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline
CID 46845625
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
1-[2-[3-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-yl]phenyl]phospholane
CID 71484594
barium(2+);bis(1-(2-methoxynaphthalen-1-yl)naphthalen-2-olate)
CID 10952722
4-(2-methoxynaphthalen-1-yl)-5-naphthalen-1-yl-1,3,6,8-tetrahydrofuro[3,4-e][2]benzofuran
CID 122215151
14-methylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16(21)-octaene
CID 123585590

Frequently Asked Questions

What is the IUPAC name of ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene?
The IUPAC name of ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene (CID 143505686) is ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene.
What is the SMILES notation for ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene?
The canonical SMILES for ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene is CC.COc1ccc2ccccc2c1-c1cc2c(cc1C)CCC2.
What is the InChIKey of ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene?
The InChIKey is YZXCMMBMERIVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O.C2H6/c1-14-12-16-7-5-8-17(16)13-19(14)21-18-9-4-3-6-15(18)10-11-20(21)22-2;1-2/h3-4,6,9-13H,5,7-8H2,1-2H3;1-2H3.
What are the key properties of ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene?
ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene has a molecular weight of 318.46 g/mol, XLogP of 6.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methoxy-1-(6-methyl-2,3-dihydro-1H-inden-5-yl)naphthalene is sourced from PubChem (CID 143505686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).