1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol

C28H30O2 — CID 86090992

IUPAC1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol
SMILESCC(C)Cc1ccc2c(-c3c(O)ccc4cc(CC(C)C)ccc34)c(O)ccc2c1
InChIInChI=1S/C28H30O2/c1-17(2)13-19-5-9-23-21(15-19)7-11-25(29)27(23)28-24-10-6-20(14-18(3)4)16-22(24)8-12-26(28)30/h5-12,15-18,29-30H,13-14H2,1-4H3
InChIKeyCOHYHWSVYYJORV-UHFFFAOYSA-N
MW398.55 g/mol
LogP7.47
Rot. Bonds5

About 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol

1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol (PubChem CID 86090992) has the molecular formula C28H30O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol
PubChem CID86090992
Molecular FormulaC28H30O2
Molecular Weight398.55 g/mol
Exact Mass398.22
IUPAC Name1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol
SMILESCC(C)Cc1ccc2c(-c3c(O)ccc4cc(CC(C)C)ccc34)c(O)ccc2c1
InChIInChI=1S/C28H30O2/c1-17(2)13-19-5-9-23-21(15-19)7-11-25(29)27(23)28-24-10-6-20(14-18(3)4)16-22(24)8-12-26(28)30/h5-12,15-18,29-30H,13-14H2,1-4H3
InChIKeyCOHYHWSVYYJORV-UHFFFAOYSA-N
XLogP7.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 57.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);hexakis(propan-2-ol);titanium
CID 134903058
bis(1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol);bis(propan-2-ol);titanium;hydrate
CID 11764266
2-bromo-4-(2-methylpropyl)phenol;hydrobromide
CID 162312266
1-(2-hydroxy-6-triethylsilyloxynaphthalen-1-yl)-6-triethylsilyloxynaphthalen-2-ol
CID 135016989
4-(2-methylpropyl)-2-methylsulfinylphenol
CID 56631448
8-(2-methylpropyl)-1-[4-(2-methylpropyl)phenyl]naphtho[2,1-f]isoquinoline
CID 157202673
1-(2-hydroxynaphthalen-1-yl)-6-(5-sulfanylpentyl)naphthalen-2-ol
CID 11463398
3-methyl-6-(2-methylpropyl)isoquinolin-1-amine
CID 118508678
6-(2-methylpropyl)-N-propan-2-ylnaphthalen-2-amine
CID 165158120
4-[[4-hydroxy-3-(2-methylpropyl)phenyl]methyl]-2-(2-methylpropyl)phenol
CID 22003355
6-hexyl-1-(6-hexyl-2-phenylnaphthalen-1-yl)naphthalen-2-ol
CID 166440328
1-(2,7-dihydroxynaphthalen-1-yl)naphthalene-2,7-diol
CID 11415880

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol?
The IUPAC name of 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol (CID 86090992) is 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol.
What is the SMILES notation for 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol?
The canonical SMILES for 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol is CC(C)Cc1ccc2c(-c3c(O)ccc4cc(CC(C)C)ccc34)c(O)ccc2c1.
What is the InChIKey of 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol?
The InChIKey is COHYHWSVYYJORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O2/c1-17(2)13-19-5-9-23-21(15-19)7-11-25(29)27(23)28-24-10-6-20(14-18(3)4)16-22(24)8-12-26(28)30/h5-12,15-18,29-30H,13-14H2,1-4H3.
What are the key properties of 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol?
1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol has a molecular weight of 398.55 g/mol, XLogP of 7.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-6-(2-methylpropyl)naphthalen-1-yl]-6-(2-methylpropyl)naphthalen-2-ol is sourced from PubChem (CID 86090992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).