ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene

C15H24O — CID 143044836

IUPACethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC.COc1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C13H18O.C2H6/c1-13(2)8-4-5-10-6-7-11(14-3)9-12(10)13;1-2/h6-7,9H,4-5,8H2,1-3H3;1-2H3
InChIKeyOFHWQNMPRKEGAD-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.34
Rot. Bonds1

About ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene

ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene (PubChem CID 143044836) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Nameethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
PubChem CID143044836
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Nameethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
SMILESCC.COc1ccc2c(c1)C(C)(C)CCC2
InChIInChI=1S/C13H18O.C2H6/c1-13(2)8-4-5-10-6-7-11(14-3)9-12(10)13;1-2/h6-7,9H,4-5,8H2,1-3H3;1-2H3
InChIKeyOFHWQNMPRKEGAD-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
2-[(1R)-7-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 11775651
1-(aminomethyl)-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79248291
1-ethyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-amine
CID 79240760
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 142271097
1-(2,5-dimethoxyphenyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 62800508
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 79248307
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
1-(aminomethyl)-7-methoxy-N,N-dimethyl-3,4-dihydro-2H-naphthalen-1-amine
CID 79248766
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
2-methoxyspiro[5,7,8,9-tetrahydrobenzo[7]annulene-6,1'-cyclopropane]
CID 143815719

Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene (CID 143044836) is ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene is CC.COc1ccc2c(c1)C(C)(C)CCC2.
What is the InChIKey of ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
The InChIKey is OFHWQNMPRKEGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-13(2)8-4-5-10-6-7-11(14-3)9-12(10)13;1-2/h6-7,9H,4-5,8H2,1-3H3;1-2H3.
What are the key properties of ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene?
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene has a molecular weight of 220.36 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 143044836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).