7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol

C26H24O2 — CID 141134482

IUPAC7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol
SMILESCC(C)Cc1cc2cc(O)ccc2c(Oc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H24O2/c1-18(2)15-21-16-20-17-22(27)13-14-24(20)26(28-23-11-7-4-8-12-23)25(21)19-9-5-3-6-10-19/h3-14,16-18,27H,15H2,1-2H3
InChIKeyHRIOXUMFVXVBMM-UHFFFAOYSA-N
MW368.48 g/mol
LogP7.20
Rot. Bonds5

About 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol

7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol (PubChem CID 141134482) has the molecular formula C26H24O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol.

Molecular Properties

Compound Name7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol
PubChem CID141134482
Molecular FormulaC26H24O2
Molecular Weight368.48 g/mol
Exact Mass368.18
IUPAC Name7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol
SMILESCC(C)Cc1cc2cc(O)ccc2c(Oc2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H24O2/c1-18(2)15-21-16-20-17-22(27)13-14-24(20)26(28-23-11-7-4-8-12-23)25(21)19-9-5-3-6-10-19/h3-14,16-18,27H,15H2,1-2H3
InChIKeyHRIOXUMFVXVBMM-UHFFFAOYSA-N
XLogP7.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol?
The IUPAC name of 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol (CID 141134482) is 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol.
What is the SMILES notation for 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol?
The canonical SMILES for 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol is CC(C)Cc1cc2cc(O)ccc2c(Oc2ccccc2)c1-c1ccccc1.
What is the InChIKey of 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol?
The InChIKey is HRIOXUMFVXVBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O2/c1-18(2)15-21-16-20-17-22(27)13-14-24(20)26(28-23-11-7-4-8-12-23)25(21)19-9-5-3-6-10-19/h3-14,16-18,27H,15H2,1-2H3.
What are the key properties of 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol?
7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol has a molecular weight of 368.48 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-5-phenoxy-6-phenylnaphthalen-2-ol is sourced from PubChem (CID 141134482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).