4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol

C25H24O2 — CID 54384901

IUPAC4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol
SMILESCCCC(C)(c1ccc(O)c2ccccc12)c1ccc(O)c2ccccc12
InChIInChI=1S/C25H24O2/c1-3-16-25(2,21-12-14-23(26)19-10-6-4-8-17(19)21)22-13-15-24(27)20-11-7-5-9-18(20)22/h4-15,26-27H,3,16H2,1-2H3
InChIKeyVCNHPQLFXWLCEE-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.51
Rot. Bonds4

About 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol

4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol (PubChem CID 54384901) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol
PubChem CID54384901
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol
SMILESCCCC(C)(c1ccc(O)c2ccccc12)c1ccc(O)c2ccccc12
InChIInChI=1S/C25H24O2/c1-3-16-25(2,21-12-14-23(26)19-10-6-4-8-17(19)21)22-13-15-24(27)20-11-7-5-9-18(20)22/h4-15,26-27H,3,16H2,1-2H3
InChIKeyVCNHPQLFXWLCEE-UHFFFAOYSA-N
XLogP6.51
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 8663
CID 8663
CID 7005
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CID 72303
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CID 10229
CID 10229
CID 21387
CID 21387
CID 6620
CID 6620
CID 6815
CID 6815
CID 232446
CID 232446
CID 6749
CID 6749
CID 442027
CID 442027
CID 10209
CID 10209
CID 92783
CID 92783

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol?
The IUPAC name of 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol (CID 54384901) is 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol.
What is the SMILES notation for 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol?
The canonical SMILES for 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol is CCCC(C)(c1ccc(O)c2ccccc12)c1ccc(O)c2ccccc12.
What is the InChIKey of 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol?
The InChIKey is VCNHPQLFXWLCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-3-16-25(2,21-12-14-23(26)19-10-6-4-8-17(19)21)22-13-15-24(27)20-11-7-5-9-18(20)22/h4-15,26-27H,3,16H2,1-2H3.
What are the key properties of 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol?
4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol has a molecular weight of 356.47 g/mol, XLogP of 6.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol is sourced from PubChem (CID 54384901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).