1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol

C28H29ClN2O4 — CID 159654174

IUPAC1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol
SMILESOc1cc(N2CCOCC2)c2ccccc2c1.Oc1cc(N2CCOCC2)c2ccccc2c1Cl
InChIInChI=1S/C14H14ClNO2.C14H15NO2/c15-14-11-4-2-1-3-10(11)12(9-13(14)17)16-5-7-18-8-6-16;16-12-9-11-3-1-2-4-13(11)14(10-12)15-5-7-17-8-6-15/h1-4,9,17H,5-8H2;1-4,9-10,16H,5-8H2
InChIKeyMRYRPFWVGKXPOV-UHFFFAOYSA-N
MW493.00 g/mol
LogP5.42
Rot. Bonds2

About 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol

1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol (PubChem CID 159654174) has the molecular formula C28H29ClN2O4 and a molecular weight of 493.00 g/mol. Its IUPAC name is 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol.

Molecular Properties

Compound Name1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol
PubChem CID159654174
Molecular FormulaC28H29ClN2O4
Molecular Weight493.00 g/mol
Exact Mass492.18
IUPAC Name1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol
SMILESOc1cc(N2CCOCC2)c2ccccc2c1.Oc1cc(N2CCOCC2)c2ccccc2c1Cl
InChIInChI=1S/C14H14ClNO2.C14H15NO2/c15-14-11-4-2-1-3-10(11)12(9-13(14)17)16-5-7-18-8-6-16;16-12-9-11-3-1-2-4-13(11)14(10-12)15-5-7-17-8-6-15/h1-4,9,17H,5-8H2;1-4,9-10,16H,5-8H2
InChIKeyMRYRPFWVGKXPOV-UHFFFAOYSA-N
XLogP5.42
TPSA65.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.00
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-chloro-4-piperidin-1-ylnaphthalen-2-ol;naphthalen-2-ol
CID 162230418
2-[(2-hydroxy-4-morpholin-4-ylnaphthalen-1-yl)diazenyl]benzenesulfonic acid
CID 136845954
3-morpholin-4-ylnaphthalene-2-thiol
CID 91552952
3-(2-morpholin-4-ylphenyl)phenol
CID 173316588
1-chloronaphthalen-2-ol;naphthalen-2-ol;2,3,4,5-tetrachlorophenol
CID 161098712
1-phenanthren-9-yl-4-phenylpiperazine
CID 101487522
4-morpholin-4-ylbenzo[g]chromen-2-one
CID 11346540
4-(1-bromoisoquinolin-3-yl)morpholine
CID 59264518
3-morpholin-4-ylquinolin-2-amine
CID 67346064
8-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)anthracene-1,9,10-triol
CID 90868964
1,4-dichloronaphthalen-2-ol
CID 12578005
3-chloro-5-morpholin-4-ylphenol
CID 130057558

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol?
The IUPAC name of 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol (CID 159654174) is 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol.
What is the SMILES notation for 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol?
The canonical SMILES for 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol is Oc1cc(N2CCOCC2)c2ccccc2c1.Oc1cc(N2CCOCC2)c2ccccc2c1Cl.
What is the InChIKey of 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol?
The InChIKey is MRYRPFWVGKXPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2.C14H15NO2/c15-14-11-4-2-1-3-10(11)12(9-13(14)17)16-5-7-18-8-6-16;16-12-9-11-3-1-2-4-13(11)14(10-12)15-5-7-17-8-6-15/h1-4,9,17H,5-8H2;1-4,9-10,16H,5-8H2.
What are the key properties of 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol?
1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol has a molecular weight of 493.00 g/mol, XLogP of 5.42, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-morpholin-4-ylnaphthalen-2-ol;4-morpholin-4-ylnaphthalen-2-ol is sourced from PubChem (CID 159654174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).