6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol

C35H34N2O3 — CID 18675964

IUPAC6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C35H34N2O3/c38-30-11-8-27(9-12-30)33-16-10-28-25-31(39)13-17-34(28)35(33)24-26-6-14-32(15-7-26)40-23-22-36-18-20-37(21-19-36)29-4-2-1-3-5-29/h1-17,25,38-39H,18-24H2
InChIKeyKYVWHGIPSGWJDN-UHFFFAOYSA-N
MW530.67 g/mol
LogP6.71
Rot. Bonds8

About 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol

6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol (PubChem CID 18675964) has the molecular formula C35H34N2O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
PubChem CID18675964
Molecular FormulaC35H34N2O3
Molecular Weight530.67 g/mol
Exact Mass530.26
IUPAC Name6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol
SMILESOc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1
InChIInChI=1S/C35H34N2O3/c38-30-11-8-27(9-12-30)33-16-10-28-25-31(39)13-17-34(28)35(33)24-26-6-14-32(15-7-26)40-23-22-36-18-20-37(21-19-36)29-4-2-1-3-5-29/h1-17,25,38-39H,18-24H2
InChIKeyKYVWHGIPSGWJDN-UHFFFAOYSA-N
XLogP6.71
TPSA56.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
The IUPAC name of 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol (CID 18675964) is 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol is Oc1ccc(-c2ccc3cc(O)ccc3c2Cc2ccc(OCCN3CCN(c4ccccc4)CC3)cc2)cc1.
What is the InChIKey of 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
The InChIKey is KYVWHGIPSGWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O3/c38-30-11-8-27(9-12-30)33-16-10-28-25-31(39)13-17-34(28)35(33)24-26-6-14-32(15-7-26)40-23-22-36-18-20-37(21-19-36)29-4-2-1-3-5-29/h1-17,25,38-39H,18-24H2.
What are the key properties of 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol?
6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol has a molecular weight of 530.67 g/mol, XLogP of 6.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-5-[[4-[2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]methyl]naphthalen-2-ol is sourced from PubChem (CID 18675964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).