(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C15H20O3 — CID 114091372

IUPAC(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@H]1CCCc2ccc(OCOCC3CC3)cc21
InChIInChI=1S/C15H20O3/c16-15-3-1-2-12-6-7-13(8-14(12)15)18-10-17-9-11-4-5-11/h6-8,11,15-16H,1-5,9-10H2/t15-/m0/s1
InChIKeyPQPAIPYTTPMUAL-HNNXBMFYSA-N
MW248.32 g/mol
LogP2.82
Rot. Bonds5

About (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 114091372) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID114091372
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@H]1CCCc2ccc(OCOCC3CC3)cc21
InChIInChI=1S/C15H20O3/c16-15-3-1-2-12-6-7-13(8-14(12)15)18-10-17-9-11-4-5-11/h6-8,11,15-16H,1-5,9-10H2/t15-/m0/s1
InChIKeyPQPAIPYTTPMUAL-HNNXBMFYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 114091354
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809
8-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 57278272
7-(cyclopropylmethoxymethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 106931226
1-chloro-4-(cyclopropylmethoxymethoxy)benzene
CID 106931199
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62738037
[4-(cyclopropylmethoxymethoxy)-2-methylphenyl]boronic acid
CID 106929992
6-(cyclobutylmethoxy)-1,2,3,4-tetrahydroisoquinolin-4-ol
CID 118940221

Frequently Asked Questions

What is the IUPAC name of (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 114091372) is (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@H]1CCCc2ccc(OCOCC3CC3)cc21.
What is the InChIKey of (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is PQPAIPYTTPMUAL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15-3-1-2-12-6-7-13(8-14(12)15)18-10-17-9-11-4-5-11/h6-8,11,15-16H,1-5,9-10H2/t15-/m0/s1.
What are the key properties of (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 114091372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).