5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

C15H20O3 — CID 106929819

IUPAC5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCOCC3CC3)cccc21
InChIInChI=1S/C15H20O3/c16-14-5-1-4-13-12(14)3-2-6-15(13)18-10-17-9-11-7-8-11/h2-3,6,11,14,16H,1,4-5,7-10H2
InChIKeyROLYRULPKODYNR-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.82
Rot. Bonds5

About 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol

5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 106929819) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID106929819
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCOCC3CC3)cccc21
InChIInChI=1S/C15H20O3/c16-14-5-1-4-13-12(14)3-2-6-15(13)18-10-17-9-11-7-8-11/h2-3,6,11,14,16H,1,4-5,7-10H2
InChIKeyROLYRULPKODYNR-UHFFFAOYSA-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

(1R)-4-(cyclopropylmethoxy)-2,3-dihydro-1H-inden-1-ol
CID 95012649
5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106929342
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-[(5-methyloxolan-2-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 103135185
5-(2-phenylsulfanylethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79228032
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091372
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
4-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-N,N-dimethylbutanamide
CID 65454087
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115582286

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 106929819) is 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCOCC3CC3)cccc21.
What is the InChIKey of 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is ROLYRULPKODYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-14-5-1-4-13-12(14)3-2-6-15(13)18-10-17-9-11-7-8-11/h2-3,6,11,14,16H,1,4-5,7-10H2.
What are the key properties of 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol?
5-(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 5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 106929819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).