3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol

C16H20O4 — CID 118363614

IUPAC3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
SMILESOCCCOc1ccc2ccc(OCCCO)cc2c1
InChIInChI=1S/C16H20O4/c17-7-1-9-19-15-5-3-13-4-6-16(12-14(13)11-15)20-10-2-8-18/h3-6,11-12,17-18H,1-2,7-10H2
InChIKeyBYZQFCYXTQUJKY-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.36
Rot. Bonds8

About 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol

3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol (PubChem CID 118363614) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
PubChem CID118363614
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
SMILESOCCCOc1ccc2ccc(OCCCO)cc2c1
InChIInChI=1S/C16H20O4/c17-7-1-9-19-15-5-3-13-4-6-16(12-14(13)11-15)20-10-2-8-18/h3-6,11-12,17-18H,1-2,7-10H2
InChIKeyBYZQFCYXTQUJKY-UHFFFAOYSA-N
XLogP2.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
7-(5-hydroxypentoxy)naphthalen-2-ol
CID 62229734
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-naphthalen-2-yloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23534221
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566
4-methylbenzenesulfonic acid;3-naphthalen-2-yloxypropan-1-ol
CID 71444206
3-(3-methyl-4-propan-2-ylphenoxy)propan-1-ol
CID 43509991
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
6-[6-(6-bromonaphthalen-2-yl)oxyhexylsulfonyl]hexan-1-ol
CID 70163219
10-anthracen-2-yloxydecane-1-thiol
CID 10808920

Frequently Asked Questions

What is the IUPAC name of 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol?
The IUPAC name of 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol (CID 118363614) is 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol?
The canonical SMILES for 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol is OCCCOc1ccc2ccc(OCCCO)cc2c1.
What is the InChIKey of 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol?
The InChIKey is BYZQFCYXTQUJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c17-7-1-9-19-15-5-3-13-4-6-16(12-14(13)11-15)20-10-2-8-18/h3-6,11-12,17-18H,1-2,7-10H2.
What are the key properties of 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol?
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 2.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol is sourced from PubChem (CID 118363614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).