6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol

C31H33NO3 — CID 18676010

IUPAC6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCN3CCCC3)cc2)cc1
InChIInChI=1S/C31H33NO3/c33-26-10-7-24(8-11-26)29-15-9-25-22-27(34)12-16-30(25)31(29)21-23-5-13-28(14-6-23)35-20-4-3-19-32-17-1-2-18-32/h5-16,22,33-34H,1-4,17-21H2
InChIKeyHQFLRUOXZWCMEH-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.76
Rot. Bonds9

About 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol (PubChem CID 18676010) has the molecular formula C31H33NO3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
PubChem CID18676010
Molecular FormulaC31H33NO3
Molecular Weight467.61 g/mol
Exact Mass467.25
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCN3CCCC3)cc2)cc1
InChIInChI=1S/C31H33NO3/c33-26-10-7-24(8-11-26)29-15-9-25-22-27(34)12-16-30(25)31(29)21-23-5-13-28(14-6-23)35-20-4-3-19-32-17-1-2-18-32/h5-16,22,33-34H,1-4,17-21H2
InChIKeyHQFLRUOXZWCMEH-UHFFFAOYSA-N
XLogP6.76
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-hydroxy-4-methylphenyl)-5-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]naphthalen-2-ol
CID 18182697
5-[[4-[4-(3H-azepin-6-yl)butoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 90953271
6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
CID 18675935
5-[[4-[2-(3H-azepin-6-yl)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 90915728
5-[[4-[2-(dibutylamino)ethoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol;hydrochloride
CID 18675943
2-(4-hydroxyphenyl)-3-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-1-benzothiophen-6-ol
CID 15289231
6-(4-hydroxyphenyl)-5-[[4-[4-(naphthalen-1-ylamino)butoxy]phenyl]methyl]naphthalen-2-ol
CID 18676036
5-[[4-[4-(3H-azepin-7-yl)butoxy]phenyl]methyl]-6-(4-hydroxyphenyl)naphthalen-2-ol
CID 91488672
6-(4-hydroxyphenyl)-5-[[4-[3-(naphthalen-1-ylamino)propoxy]phenyl]methyl]naphthalen-2-ol
CID 12020304
1-[2-[4-[[6-methoxy-2-(3-methoxy-4-methylphenyl)naphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 18182724
5-[4-(2-piperidin-1-ylethoxy)phenoxy]-6-(4-sulfanylphenyl)naphthalen-2-ol
CID 70896739
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol (CID 18676010) is 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol is Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCCCN3CCCC3)cc2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol?
The InChIKey is HQFLRUOXZWCMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33NO3/c33-26-10-7-24(8-11-26)29-15-9-25-22-27(34)12-16-30(25)31(29)21-23-5-13-28(14-6-23)35-20-4-3-19-32-17-1-2-18-32/h5-16,22,33-34H,1-4,17-21H2.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol has a molecular weight of 467.61 g/mol, XLogP of 6.76, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-(4-pyrrolidin-1-ylbutoxy)phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18676010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).