4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol

C27H24O2 — CID 59616128

IUPAC4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol
SMILESOc1ccc(C23CCC(c4ccc(O)c5ccccc45)(CC2)C3)c2ccccc12
InChIInChI=1S/C27H24O2/c28-24-11-9-22(18-5-1-3-7-20(18)24)26-13-15-27(17-26,16-14-26)23-10-12-25(29)21-8-4-2-6-19(21)23/h1-12,28-29H,13-17H2
InChIKeyXLFDWAQBHVKPHK-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.56
Rot. Bonds2

About 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol

4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol (PubChem CID 59616128) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol
PubChem CID59616128
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol
SMILESOc1ccc(C23CCC(c4ccc(O)c5ccccc45)(CC2)C3)c2ccccc12
InChIInChI=1S/C27H24O2/c28-24-11-9-22(18-5-1-3-7-20(18)24)26-13-15-27(17-26,16-14-26)23-10-12-25(29)21-8-4-2-6-19(21)23/h1-12,28-29H,13-17H2
InChIKeyXLFDWAQBHVKPHK-UHFFFAOYSA-N
XLogP6.56
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10229
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trans-Ferruginol
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(+)-Totarol
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1,1'-Methylenebis(2-naphthalenol)
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3-Phenanthrol
CID 95724
1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane
CID 21943953
9-Hydroxybenzo(a)pyrene
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2-Benzyl-1-naphthol
CID 160268
Xibornol
CID 76967262
Benzo[a]pyrene-7,8-diol
CID 42267

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol?
The IUPAC name of 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol (CID 59616128) is 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol.
What is the SMILES notation for 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol?
The canonical SMILES for 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol is Oc1ccc(C23CCC(c4ccc(O)c5ccccc45)(CC2)C3)c2ccccc12.
What is the InChIKey of 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol?
The InChIKey is XLFDWAQBHVKPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O2/c28-24-11-9-22(18-5-1-3-7-20(18)24)26-13-15-27(17-26,16-14-26)23-10-12-25(29)21-8-4-2-6-19(21)23/h1-12,28-29H,13-17H2.
What are the key properties of 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol?
4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol has a molecular weight of 380.49 g/mol, XLogP of 6.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-hydroxynaphthalen-1-yl)-1-bicyclo[2.2.1]heptanyl]naphthalen-1-ol is sourced from PubChem (CID 59616128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).