8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride

C30H28ClF2NO3 — CID 67004744

IUPAC8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride
SMILESCl.Oc1ccc2c3c(ccc2c1)-c1c(F)cc(F)cc1OC3c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H27F2NO3.ClH/c31-21-17-26(32)29-25-10-6-20-16-22(34)7-11-24(20)28(25)30(36-27(29)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33;/h4-11,16-18,30,34H,1-3,12-15H2;1H
InChIKeyYPXCDFDLEMLLFJ-UHFFFAOYSA-N
MW524.01 g/mol
LogP7.26
Rot. Bonds5

About 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride

8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride (PubChem CID 67004744) has the molecular formula C30H28ClF2NO3 and a molecular weight of 524.01 g/mol. Its IUPAC name is 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride.

Molecular Properties

Compound Name8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride
PubChem CID67004744
Molecular FormulaC30H28ClF2NO3
Molecular Weight524.01 g/mol
Exact Mass523.17
IUPAC Name8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride
SMILESCl.Oc1ccc2c3c(ccc2c1)-c1c(F)cc(F)cc1OC3c1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C30H27F2NO3.ClH/c31-21-17-26(32)29-25-10-6-20-16-22(34)7-11-24(20)28(25)30(36-27(29)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33;/h4-11,16-18,30,34H,1-3,12-15H2;1H
InChIKeyYPXCDFDLEMLLFJ-UHFFFAOYSA-N
XLogP7.26
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.01
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methylsulfanyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 59804100
8-(dimethylaminosulfanyl)-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol
CID 143084999
5-[hydroxy-[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-6-(2,4,6-trifluorophenyl)naphthalen-2-ol;hydrochloride
CID 67004190
10-[4-(2-piperidin-1-ylethoxy)phenyl]-9-oxatetracyclo[9.8.0.02,7.012,17]nonadeca-1(11),2,4,6,12(17),13,15,18-octaen-15-ol
CID 58961538
[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
tert-butyl-[[2-[tert-butyl(dimethyl)silyl]oxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-8-yl]oxy]-dimethylsilane
CID 19595113
6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 67005014
[6-hydroxy-2-(2,3,5-trifluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 11237470
3-(4-hydroxyphenyl)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-(trifluoromethyl)-2H-chromen-7-ol
CID 10141600
3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-7-ol;hydrochloride
CID 19609528
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
CID 68950038

Frequently Asked Questions

What is the IUPAC name of 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride?
The IUPAC name of 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride (CID 67004744) is 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride.
What is the SMILES notation for 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride?
The canonical SMILES for 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride is Cl.Oc1ccc2c3c(ccc2c1)-c1c(F)cc(F)cc1OC3c1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride?
The InChIKey is YPXCDFDLEMLLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F2NO3.ClH/c31-21-17-26(32)29-25-10-6-20-16-22(34)7-11-24(20)28(25)30(36-27(29)18-21)19-4-8-23(9-5-19)35-15-14-33-12-2-1-3-13-33;/h4-11,16-18,30,34H,1-3,12-15H2;1H.
What are the key properties of 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride?
8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride has a molecular weight of 524.01 g/mol, XLogP of 7.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-difluoro-5-[4-(2-piperidin-1-ylethoxy)phenyl]-5H-naphtho[1,2-c]chromen-2-ol;hydrochloride is sourced from PubChem (CID 67004744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).