1-(4-tert-butylphenoxy)naphthalen-2-ol

C20H20O2 — CID 57113937

IUPAC1-(4-tert-butylphenoxy)naphthalen-2-ol
SMILESCC(C)(C)c1ccc(Oc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H20O2/c1-20(2,3)15-9-11-16(12-10-15)22-19-17-7-5-4-6-14(17)8-13-18(19)21/h4-13,21H,1-3H3
InChIKeyGDHZRRRXDKKCAH-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.64
Rot. Bonds2

About 1-(4-tert-butylphenoxy)naphthalen-2-ol

1-(4-tert-butylphenoxy)naphthalen-2-ol (PubChem CID 57113937) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenoxy)naphthalen-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenoxy)naphthalen-2-ol
PubChem CID57113937
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-(4-tert-butylphenoxy)naphthalen-2-ol
SMILESCC(C)(C)c1ccc(Oc2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C20H20O2/c1-20(2,3)15-9-11-16(12-10-15)22-19-17-7-5-4-6-14(17)8-13-18(19)21/h4-13,21H,1-3H3
InChIKeyGDHZRRRXDKKCAH-UHFFFAOYSA-N
XLogP5.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenoxy)naphthalen-2-ol?
The IUPAC name of 1-(4-tert-butylphenoxy)naphthalen-2-ol (CID 57113937) is 1-(4-tert-butylphenoxy)naphthalen-2-ol.
What is the SMILES notation for 1-(4-tert-butylphenoxy)naphthalen-2-ol?
The canonical SMILES for 1-(4-tert-butylphenoxy)naphthalen-2-ol is CC(C)(C)c1ccc(Oc2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-(4-tert-butylphenoxy)naphthalen-2-ol?
The InChIKey is GDHZRRRXDKKCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-20(2,3)15-9-11-16(12-10-15)22-19-17-7-5-4-6-14(17)8-13-18(19)21/h4-13,21H,1-3H3.
What are the key properties of 1-(4-tert-butylphenoxy)naphthalen-2-ol?
1-(4-tert-butylphenoxy)naphthalen-2-ol has a molecular weight of 292.38 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenoxy)naphthalen-2-ol is sourced from PubChem (CID 57113937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).