4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol

C28H22O2 — CID 168820240

IUPAC4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol
SMILESCC(c1ccccc1)(c1ccc(O)c2ccccc12)c1ccc(O)c2ccccc12
InChIInChI=1S/C28H22O2/c1-28(19-9-3-2-4-10-19,24-15-17-26(29)22-13-7-5-11-20(22)24)25-16-18-27(30)23-14-8-6-12-21(23)25/h2-18,29-30H,1H3
InChIKeyZARZVMGWDHOUAS-UHFFFAOYSA-N
MW390.48 g/mol
LogP6.76
Rot. Bonds3

About 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol

4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol (PubChem CID 168820240) has the molecular formula C28H22O2 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol
PubChem CID168820240
Molecular FormulaC28H22O2
Molecular Weight390.48 g/mol
Exact Mass390.16
IUPAC Name4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol
SMILESCC(c1ccccc1)(c1ccc(O)c2ccccc12)c1ccc(O)c2ccccc12
InChIInChI=1S/C28H22O2/c1-28(19-9-3-2-4-10-19,24-15-17-26(29)22-13-7-5-11-20(22)24)25-16-18-27(30)23-14-8-6-12-21(23)25/h2-18,29-30H,1H3
InChIKeyZARZVMGWDHOUAS-UHFFFAOYSA-N
XLogP6.76
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.48
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol?
The IUPAC name of 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol (CID 168820240) is 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol.
What is the SMILES notation for 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol?
The canonical SMILES for 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol is CC(c1ccccc1)(c1ccc(O)c2ccccc12)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol?
The InChIKey is ZARZVMGWDHOUAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O2/c1-28(19-9-3-2-4-10-19,24-15-17-26(29)22-13-7-5-11-20(22)24)25-16-18-27(30)23-14-8-6-12-21(23)25/h2-18,29-30H,1H3.
What are the key properties of 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol?
4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol has a molecular weight of 390.48 g/mol, XLogP of 6.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxynaphthalen-1-yl)-1-phenylethyl]naphthalen-1-ol is sourced from PubChem (CID 168820240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).