1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol

C23H20O2 — CID 13354439

IUPAC1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
SMILESCC(C)(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H20O2/c1-23(2,21-17-9-5-3-7-15(17)11-13-19(21)24)22-18-10-6-4-8-16(18)12-14-20(22)25/h3-14,24-25H,1-2H3
InChIKeyVELVWZSKNQWNGW-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.73
Rot. Bonds2

About 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol

1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol (PubChem CID 13354439) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
PubChem CID13354439
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
SMILESCC(C)(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12
InChIInChI=1S/C23H20O2/c1-23(2,21-17-9-5-3-7-15(17)11-13-19(21)24)22-18-10-6-4-8-16(18)12-14-20(22)25/h3-14,24-25H,1-2H3
InChIKeyVELVWZSKNQWNGW-UHFFFAOYSA-N
XLogP5.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol?
The IUPAC name of 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol (CID 13354439) is 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol.
What is the SMILES notation for 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol?
The canonical SMILES for 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol is CC(C)(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12.
What is the InChIKey of 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol?
The InChIKey is VELVWZSKNQWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-23(2,21-17-9-5-3-7-15(17)11-13-19(21)24)22-18-10-6-4-8-16(18)12-14-20(22)25/h3-14,24-25H,1-2H3.
What are the key properties of 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol?
1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol has a molecular weight of 328.41 g/mol, XLogP of 5.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol is sourced from PubChem (CID 13354439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).