7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol

C31H24O4 — CID 143532000

IUPAC7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol
SMILESCC1Cc2ccc(O)cc2C=C1Oc1ccc2ccc(Oc3ccc4ccc(O)cc4c3)cc2c1
InChIInChI=1S/C31H24O4/c1-19-12-22-3-8-27(33)14-24(22)18-31(19)35-30-11-6-21-5-10-29(16-25(21)17-30)34-28-9-4-20-2-7-26(32)13-23(20)15-28/h2-11,13-19,32-33H,12H2,1H3
InChIKeyJBWVUOXCWZKXBM-UHFFFAOYSA-N
MW460.53 g/mol
LogP7.81
Rot. Bonds4

About 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol

7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol (PubChem CID 143532000) has the molecular formula C31H24O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol.

Molecular Properties

Compound Name7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol
PubChem CID143532000
Molecular FormulaC31H24O4
Molecular Weight460.53 g/mol
Exact Mass460.17
IUPAC Name7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol
SMILESCC1Cc2ccc(O)cc2C=C1Oc1ccc2ccc(Oc3ccc4ccc(O)cc4c3)cc2c1
InChIInChI=1S/C31H24O4/c1-19-12-22-3-8-27(33)14-24(22)18-31(19)35-30-11-6-21-5-10-29(16-25(21)17-30)34-28-9-4-20-2-7-26(32)13-23(20)15-28/h2-11,13-19,32-33H,12H2,1H3
InChIKeyJBWVUOXCWZKXBM-UHFFFAOYSA-N
XLogP7.81
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol?
The IUPAC name of 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol (CID 143532000) is 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol.
What is the SMILES notation for 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol?
The canonical SMILES for 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol is CC1Cc2ccc(O)cc2C=C1Oc1ccc2ccc(Oc3ccc4ccc(O)cc4c3)cc2c1.
What is the InChIKey of 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol?
The InChIKey is JBWVUOXCWZKXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O4/c1-19-12-22-3-8-27(33)14-24(22)18-31(19)35-30-11-6-21-5-10-29(16-25(21)17-30)34-28-9-4-20-2-7-26(32)13-23(20)15-28/h2-11,13-19,32-33H,12H2,1H3.
What are the key properties of 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol?
7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol has a molecular weight of 460.53 g/mol, XLogP of 7.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[(7-hydroxy-3-methyl-3,4-dihydronaphthalen-2-yl)oxy]naphthalen-2-yl]oxynaphthalen-2-ol is sourced from PubChem (CID 143532000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).