4-butoxy-2-phenoxynaphthalen-1-ol

C20H20O3 — CID 121473059

IUPAC4-butoxy-2-phenoxynaphthalen-1-ol
SMILESCCCCOc1cc(Oc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C20H20O3/c1-2-3-13-22-18-14-19(23-15-9-5-4-6-10-15)20(21)17-12-8-7-11-16(17)18/h4-12,14,21H,2-3,13H2,1H3
InChIKeyHVGIJXNXTMJYFV-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.52
Rot. Bonds6

About 4-butoxy-2-phenoxynaphthalen-1-ol

4-butoxy-2-phenoxynaphthalen-1-ol (PubChem CID 121473059) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-butoxy-2-phenoxynaphthalen-1-ol.

Molecular Properties

Compound Name4-butoxy-2-phenoxynaphthalen-1-ol
PubChem CID121473059
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name4-butoxy-2-phenoxynaphthalen-1-ol
SMILESCCCCOc1cc(Oc2ccccc2)c(O)c2ccccc12
InChIInChI=1S/C20H20O3/c1-2-3-13-22-18-14-19(23-15-9-5-4-6-10-15)20(21)17-12-8-7-11-16(17)18/h4-12,14,21H,2-3,13H2,1H3
InChIKeyHVGIJXNXTMJYFV-UHFFFAOYSA-N
XLogP5.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.52
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

4-methoxy-2-phenoxynaphthalen-1-ol
CID 19872952
4-butoxy-2-chloronaphthalen-1-ol
CID 121473081
1,4-dibutoxynaphthalene
CID 22016411
2-(4-methoxyphenoxy)naphthalene-1,4-diol
CID 19886904
3,4-dihexoxynaphthalen-1-ol
CID 19873008
1,4-didodecoxynaphthalene
CID 21304164
1,4-dibutoxybenzene;phenol
CID 174756360
[4-(butylcarbamoyloxy)-3-phenoxynaphthalen-1-yl] N-butylcarbamate
CID 19886794
4-(4-aminophenoxy)-1-hydroxy-N-(4-octadecoxyphenyl)naphthalene-2-carboxamide
CID 43834944
1-hydroxy-4-[2-(4-methylphenoxy)ethoxy]naphthalene-2-carboxylic acid
CID 54339362
1,4-dibutoxynaphthalene-2-carbonitrile
CID 102193876
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-phenoxynaphthalen-1-ol?
The IUPAC name of 4-butoxy-2-phenoxynaphthalen-1-ol (CID 121473059) is 4-butoxy-2-phenoxynaphthalen-1-ol.
What is the SMILES notation for 4-butoxy-2-phenoxynaphthalen-1-ol?
The canonical SMILES for 4-butoxy-2-phenoxynaphthalen-1-ol is CCCCOc1cc(Oc2ccccc2)c(O)c2ccccc12.
What is the InChIKey of 4-butoxy-2-phenoxynaphthalen-1-ol?
The InChIKey is HVGIJXNXTMJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-3-13-22-18-14-19(23-15-9-5-4-6-10-15)20(21)17-12-8-7-11-16(17)18/h4-12,14,21H,2-3,13H2,1H3.
What are the key properties of 4-butoxy-2-phenoxynaphthalen-1-ol?
4-butoxy-2-phenoxynaphthalen-1-ol has a molecular weight of 308.38 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-phenoxynaphthalen-1-ol is sourced from PubChem (CID 121473059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).