methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate

C30H24O3 — CID 70205985

IUPACmethyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2O)ccc2c1C=CC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C30H24O3/c1-33-29(32)28-24-18-19-30(22-10-4-2-5-11-22,23-12-6-3-7-13-23)20-21(24)16-17-26(28)25-14-8-9-15-27(25)31/h2-19,31H,20H2,1H3
InChIKeyKJPLFFMIAXJTQW-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.40
Rot. Bonds4

About methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate

methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate (PubChem CID 70205985) has the molecular formula C30H24O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate
PubChem CID70205985
Molecular FormulaC30H24O3
Molecular Weight432.52 g/mol
Exact Mass432.17
IUPAC Namemethyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2O)ccc2c1C=CC(c1ccccc1)(c1ccccc1)C2
InChIInChI=1S/C30H24O3/c1-33-29(32)28-24-18-19-30(22-10-4-2-5-11-22,23-12-6-3-7-13-23)20-21(24)16-17-26(28)25-14-8-9-15-27(25)31/h2-19,31H,20H2,1H3
InChIKeyKJPLFFMIAXJTQW-UHFFFAOYSA-N
XLogP6.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate?
The IUPAC name of methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate (CID 70205985) is methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate?
The canonical SMILES for methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate is COC(=O)c1c(-c2ccccc2O)ccc2c1C=CC(c1ccccc1)(c1ccccc1)C2.
What is the InChIKey of methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate?
The InChIKey is KJPLFFMIAXJTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O3/c1-33-29(32)28-24-18-19-30(22-10-4-2-5-11-22,23-12-6-3-7-13-23)20-21(24)16-17-26(28)25-14-8-9-15-27(25)31/h2-19,31H,20H2,1H3.
What are the key properties of methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate?
methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxyphenyl)-6,6-diphenyl-5H-naphthalene-1-carboxylate is sourced from PubChem (CID 70205985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).