ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol

C17H30O2 — CID 142271097

IUPACethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCC.CC.COc1cc2c(cc1O)CCCC2(C)C
InChIInChI=1S/C13H18O2.2C2H6/c1-13(2)6-4-5-9-7-11(14)12(15-3)8-10(9)13;2*1-2/h7-8,14H,4-6H2,1-3H3;2*1-2H3
InChIKeyVSTDMPFZSRTSQD-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.07
Rot. Bonds1

About ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol

ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 142271097) has the molecular formula C17H30O2 and a molecular weight of 266.43 g/mol. Its IUPAC name is ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Nameethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID142271097
Molecular FormulaC17H30O2
Molecular Weight266.43 g/mol
Exact Mass266.22
IUPAC Nameethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCC.CC.COc1cc2c(cc1O)CCCC2(C)C
InChIInChI=1S/C13H18O2.2C2H6/c1-13(2)6-4-5-9-7-11(14)12(15-3)8-10(9)13;2*1-2/h7-8,14H,4-6H2,1-3H3;2*1-2H3
InChIKeyVSTDMPFZSRTSQD-UHFFFAOYSA-N
XLogP5.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-4,4,7-trimethyl-2,3-dihydro-1H-naphthalene
CID 22218219
5,5-ditert-butyl-3-methoxy-7,8-dihydro-6H-naphthalen-2-ol
CID 59818056
3-chloro-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol
CID 175142073
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
7-methoxy-4,4-dimethyl-6-nitro-2,3-dihydro-1H-naphthalene
CID 10263473
6,7-difluoro-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 90156908
7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-ol
CID 10176661
(4bS,8aS)-2-methoxy-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-ol
CID 15870443
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
methyl 2-(7-methoxy-1,6-dimethyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 11139929
2-chloro-3-(3,4-dimethoxyanilino)-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione;3-chloro-2-(3,4-dimethoxyanilino)-8,8-dimethyl-6,7-dihydro-5H-anthracene-1,4-dione
CID 86575033

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol (CID 142271097) is ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol is CC.CC.COc1cc2c(cc1O)CCCC2(C)C.
What is the InChIKey of ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is VSTDMPFZSRTSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2.2C2H6/c1-13(2)6-4-5-9-7-11(14)12(15-3)8-10(9)13;2*1-2/h7-8,14H,4-6H2,1-3H3;2*1-2H3.
What are the key properties of ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol?
ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 266.43 g/mol, XLogP of 5.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-5,5-dimethyl-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 142271097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).