2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol

C17H20O4 — CID 163607485

IUPAC2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
SMILESCC(CO)COc1cccc2c(OCC3CO3)cccc12
InChIInChI=1S/C17H20O4/c1-12(8-18)9-20-16-6-2-5-15-14(16)4-3-7-17(15)21-11-13-10-19-13/h2-7,12-13,18H,8-11H2,1H3
InChIKeyHDACBFHNYRACBI-UHFFFAOYSA-N
MW288.34 g/mol
LogP2.62
Rot. Bonds7

About 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol

2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol (PubChem CID 163607485) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
PubChem CID163607485
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Name2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol
SMILESCC(CO)COc1cccc2c(OCC3CO3)cccc12
InChIInChI=1S/C17H20O4/c1-12(8-18)9-20-16-6-2-5-15-14(16)4-3-7-17(15)21-11-13-10-19-13/h2-7,12-13,18H,8-11H2,1H3
InChIKeyHDACBFHNYRACBI-UHFFFAOYSA-N
XLogP2.62
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
3-[3-[2-(3-hydroxy-2-methylpropoxy)-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]-2-methylpropan-1-ol
CID 163830401
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 170966170
2-methyl-4-[[(2S)-oxiran-2-yl]methoxy]-1H-indole;sulfane
CID 158839388
2-[[4-[1-[4-(oxiran-2-ylmethoxy)naphthalen-1-yl]ethyl]phenoxy]methyl]oxirane
CID 151987965
2-methoxy-4-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 121473061
(2R)-2-[(2,6-dimethylphenoxy)methyl]oxirane
CID 7127515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol?
The IUPAC name of 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol (CID 163607485) is 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol.
What is the SMILES notation for 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol?
The canonical SMILES for 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol is CC(CO)COc1cccc2c(OCC3CO3)cccc12.
What is the InChIKey of 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol?
The InChIKey is HDACBFHNYRACBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-12(8-18)9-20-16-6-2-5-15-14(16)4-3-7-17(15)21-11-13-10-19-13/h2-7,12-13,18H,8-11H2,1H3.
What are the key properties of 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol?
2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol has a molecular weight of 288.34 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[5-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropan-1-ol is sourced from PubChem (CID 163607485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).