1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol

C34H26O4 — CID 71528265

IUPAC1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
SMILESOc1ccc2cccc(OCc3ccccc3)c2c1-c1c(O)ccc2cccc(OCc3ccccc3)c12
InChIInChI=1S/C34H26O4/c35-27-19-17-25-13-7-15-29(37-21-23-9-3-1-4-10-23)31(25)33(27)34-28(36)20-18-26-14-8-16-30(32(26)34)38-22-24-11-5-2-6-12-24/h1-20,35-36H,21-22H2
InChIKeyZSBXHRGXDDHPTE-UHFFFAOYSA-N
MW498.58 g/mol
LogP8.23
Rot. Bonds7

About 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol

1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol (PubChem CID 71528265) has the molecular formula C34H26O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol.

Molecular Properties

Compound Name1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
PubChem CID71528265
Molecular FormulaC34H26O4
Molecular Weight498.58 g/mol
Exact Mass498.18
IUPAC Name1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
SMILESOc1ccc2cccc(OCc3ccccc3)c2c1-c1c(O)ccc2cccc(OCc3ccccc3)c12
InChIInChI=1S/C34H26O4/c35-27-19-17-25-13-7-15-29(37-21-23-9-3-1-4-10-23)31(25)33(27)34-28(36)20-18-26-14-8-16-30(32(26)34)38-22-24-11-5-2-6-12-24/h1-20,35-36H,21-22H2
InChIKeyZSBXHRGXDDHPTE-UHFFFAOYSA-N
XLogP8.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 58.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 71348952
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CID 67346586
2-phenylmethoxybenzene-1,3-diol
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7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
4-hydroxy-2-methyl-9-phenylmethoxy-1H-benzo[e]isoindol-3-one
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CID 142703348
2-[[4-(aminomethyl)phenyl]methoxy]phenol
CID 105486618
1,2-bis(phenylmethoxy)naphthalene
CID 67710722
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-(aminomethyl)-6-phenylmethoxyphenol
CID 117330545

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol?
The IUPAC name of 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol (CID 71528265) is 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol.
What is the SMILES notation for 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol?
The canonical SMILES for 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol is Oc1ccc2cccc(OCc3ccccc3)c2c1-c1c(O)ccc2cccc(OCc3ccccc3)c12.
What is the InChIKey of 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol?
The InChIKey is ZSBXHRGXDDHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26O4/c35-27-19-17-25-13-7-15-29(37-21-23-9-3-1-4-10-23)31(25)33(27)34-28(36)20-18-26-14-8-16-30(32(26)34)38-22-24-11-5-2-6-12-24/h1-20,35-36H,21-22H2.
What are the key properties of 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol?
1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol has a molecular weight of 498.58 g/mol, XLogP of 8.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol is sourced from PubChem (CID 71528265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).