1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol

C16H18O3 — CID 57237218

IUPAC1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol
SMILESCOCCOC1CCc2c1cc1ccccc1c2O
InChIInChI=1S/C16H18O3/c1-18-8-9-19-15-7-6-13-14(15)10-11-4-2-3-5-12(11)16(13)17/h2-5,10,15,17H,6-9H2,1H3
InChIKeyXZNLZJUABPBAKV-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.20
Rot. Bonds4

About 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol

1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol (PubChem CID 57237218) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol
PubChem CID57237218
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol
SMILESCOCCOC1CCc2c1cc1ccccc1c2O
InChIInChI=1S/C16H18O3/c1-18-8-9-19-15-7-6-13-14(15)10-11-4-2-3-5-12(11)16(13)17/h2-5,10,15,17H,6-9H2,1H3
InChIKeyXZNLZJUABPBAKV-UHFFFAOYSA-N
XLogP3.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromonaphthalen-1-ol;methoxymethane
CID 174734204
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034765
phenyl-(4-phenyl-2,3-dihydro-1H-cyclopenta[b]naphthalen-1-yl)methanone
CID 162401088
tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol
CID 71321539
10-methoxy-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
CID 10729760
methyl 10-hydroxy-1-[(10-hydroxy-2-methoxycarbonyl-4-oxo-2,3-dihydro-1H-anthracen-1-yl)disulfanyl]-4-oxo-2,3-dihydro-1H-anthracene-2-carboxylate
CID 10077346
3-(4-butoxybutyl)naphthalene-1,2-diol
CID 139729725
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
2-ethyl-3-methoxynaphthalen-1-ol
CID 14616011
[1-[cyclopropyl(2-methoxyethyl)amino]isoquinolin-3-yl]methanol
CID 61452226
1-hydroxy-N-(2-methoxycyclopentyl)naphthalene-2-carboxamide
CID 62086836
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
CID 2752722

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol?
The IUPAC name of 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol (CID 57237218) is 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol.
What is the SMILES notation for 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol?
The canonical SMILES for 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol is COCCOC1CCc2c1cc1ccccc1c2O.
What is the InChIKey of 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol?
The InChIKey is XZNLZJUABPBAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-18-8-9-19-15-7-6-13-14(15)10-11-4-2-3-5-12(11)16(13)17/h2-5,10,15,17H,6-9H2,1H3.
What are the key properties of 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol?
1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol has a molecular weight of 258.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-2,3-dihydro-1H-cyclopenta[b]naphthalen-4-ol is sourced from PubChem (CID 57237218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).