6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol

C31H33NO3 — CID 18182697

IUPAC6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
SMILESCc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1O
InChIInChI=1S/C31H33NO3/c1-22-5-8-25(21-31(22)34)28-13-9-24-20-26(33)10-14-29(24)30(28)19-23-6-11-27(12-7-23)35-18-17-32-15-3-2-4-16-32/h5-14,20-21,33-34H,2-4,15-19H2,1H3
InChIKeyIDDWLLOIUNWLIQ-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.68
Rot. Bonds7

About 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol

6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol (PubChem CID 18182697) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
PubChem CID18182697
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC Name6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
SMILESCc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1O
InChIInChI=1S/C31H33NO3/c1-22-5-8-25(21-31(22)34)28-13-9-24-20-26(33)10-14-29(24)30(28)19-23-6-11-27(12-7-23)35-18-17-32-15-3-2-4-16-32/h5-14,20-21,33-34H,2-4,15-19H2,1H3
InChIKeyIDDWLLOIUNWLIQ-UHFFFAOYSA-N
XLogP6.68
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol with MolForge

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Related Compounds

6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
CID 18676010
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
3-(3-chloro-4-methylphenyl)-7-hydroxy-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]chromen-2-one
CID 18721837
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
6-(5-methylthiophen-3-yl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 58338573
2-hydroxy-5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-N,N-dimethylbenzamide
CID 58878023
6-(4-hydroxyphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]-propoxymethyl]naphthalen-2-ol
CID 12051557
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-thiophen-3-ylnaphthalen-2-ol
CID 58338597
5-[6-hydroxy-1-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-yl]-2,3-dihydroisoindol-1-one
CID 11504179
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol (CID 18182697) is 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol is Cc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCCCC3)cc2)cc1O.
What is the InChIKey of 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
The InChIKey is IDDWLLOIUNWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3/c1-22-5-8-25(21-31(22)34)28-13-9-24-20-26(33)10-14-29(24)30(28)19-23-6-11-27(12-7-23)35-18-17-32-15-3-2-4-16-32/h5-14,20-21,33-34H,2-4,15-19H2,1H3.
What are the key properties of 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol?
6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol has a molecular weight of 467.61 g/mol, XLogP of 6.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18182697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).