1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol

C20H20O2 — CID 58219550

IUPAC1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
SMILESCc1cc(O)c(-c2c(O)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C20H20O2/c1-12(2)16-10-13(3)11-18(22)20(16)19-15-7-5-4-6-14(15)8-9-17(19)21/h4-12,21-22H,1-3H3
InChIKeyKCXJOORSQNFEFM-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.35
Rot. Bonds2

About 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol

1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol (PubChem CID 58219550) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
PubChem CID58219550
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol
SMILESCc1cc(O)c(-c2c(O)ccc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C20H20O2/c1-12(2)16-10-13(3)11-18(22)20(16)19-15-7-5-4-6-14(15)8-9-17(19)21/h4-12,21-22H,1-3H3
InChIKeyKCXJOORSQNFEFM-UHFFFAOYSA-N
XLogP5.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol (CID 58219550) is 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol is Cc1cc(O)c(-c2c(O)ccc3ccccc23)c(C(C)C)c1.
What is the InChIKey of 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol?
The InChIKey is KCXJOORSQNFEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-12(2)16-10-13(3)11-18(22)20(16)19-15-7-5-4-6-14(15)8-9-17(19)21/h4-12,21-22H,1-3H3.
What are the key properties of 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol?
1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol has a molecular weight of 292.38 g/mol, XLogP of 5.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-methyl-6-propan-2-ylphenyl)naphthalen-2-ol is sourced from PubChem (CID 58219550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).