5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol

C16H22O2 — CID 115010876

IUPAC5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
SMILESCOc1cccc2c1CCC(O)C21CCCCC1
InChIInChI=1S/C16H22O2/c1-18-14-7-5-6-13-12(14)8-9-15(17)16(13)10-3-2-4-11-16/h5-7,15,17H,2-4,8-11H2,1H3
InChIKeyHREXETNDMGHKRX-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.20
Rot. Bonds1

About 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol

5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol (PubChem CID 115010876) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol.

Molecular Properties

Compound Name5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
PubChem CID115010876
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
SMILESCOc1cccc2c1CCC(O)C21CCCCC1
InChIInChI=1S/C16H22O2/c1-18-14-7-5-6-13-12(14)8-9-15(17)16(13)10-3-2-4-11-16/h5-7,15,17H,2-4,8-11H2,1H3
InChIKeyHREXETNDMGHKRX-UHFFFAOYSA-N
XLogP3.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
5-fluorospiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010849
(4aS)-8-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 14167541
2-(5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,4'-oxane]-2-yl)acetic acid
CID 115057435
7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 118314467
8-methylspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-ol
CID 115010719
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
CID 13270870
2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
CID 24973163
(3S,4S)-3-iodo-8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclobutane]-1'-one
CID 102114565
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
6-methoxy-11-methyl-13-azatetracyclo[9.3.3.01,10.02,7]heptadeca-2(7),3,5-triene-12,17-dione
CID 165341153
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702

Frequently Asked Questions

What is the IUPAC name of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol?
The IUPAC name of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol (CID 115010876) is 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol.
What is the SMILES notation for 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol?
The canonical SMILES for 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol is COc1cccc2c1CCC(O)C21CCCCC1.
What is the InChIKey of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol?
The InChIKey is HREXETNDMGHKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-18-14-7-5-6-13-12(14)8-9-15(17)16(13)10-3-2-4-11-16/h5-7,15,17H,2-4,8-11H2,1H3.
What are the key properties of 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol?
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol has a molecular weight of 246.35 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol is sourced from PubChem (CID 115010876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).