4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol

C16H20O3 — CID 126699424

IUPAC4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
SMILESCCOc1ccc2cc(OCCCCO)ccc2c1
InChIInChI=1S/C16H20O3/c1-2-18-15-7-5-14-12-16(8-6-13(14)11-15)19-10-4-3-9-17/h5-8,11-12,17H,2-4,9-10H2,1H3
InChIKeyPTWNCEVHIPMEOB-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.39
Rot. Bonds7

About 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol

4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol (PubChem CID 126699424) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol.

Molecular Properties

Compound Name4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
PubChem CID126699424
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
SMILESCCOc1ccc2cc(OCCCCO)ccc2c1
InChIInChI=1S/C16H20O3/c1-2-18-15-7-5-14-12-16(8-6-13(14)11-15)19-10-4-3-9-17/h5-8,11-12,17H,2-4,9-10H2,1H3
InChIKeyPTWNCEVHIPMEOB-UHFFFAOYSA-N
XLogP3.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.39
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

11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
3-[7-(3-hydroxypropoxy)naphthalen-2-yl]oxypropan-1-ol
CID 118363614
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
CID 142809566
2,6-diethoxyanthracene
CID 12651989
7-(5-hydroxypentoxy)naphthalen-2-ol
CID 62229734
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
2-ethoxynaphthalene
CID 118978197
6-(4-bromo-3-ethylphenoxy)hexan-1-ol
CID 166107935
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264

Frequently Asked Questions

What is the IUPAC name of 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol?
The IUPAC name of 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol (CID 126699424) is 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol.
What is the SMILES notation for 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol?
The canonical SMILES for 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol is CCOc1ccc2cc(OCCCCO)ccc2c1.
What is the InChIKey of 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol?
The InChIKey is PTWNCEVHIPMEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-2-18-15-7-5-14-12-16(8-6-13(14)11-15)19-10-4-3-9-17/h5-8,11-12,17H,2-4,9-10H2,1H3.
What are the key properties of 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol?
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol has a molecular weight of 260.33 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol is sourced from PubChem (CID 126699424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).