3-chloro-2-(3-morpholin-4-ylpropyl)phenol

C13H18ClNO2 — CID 170869480

IUPAC3-chloro-2-(3-morpholin-4-ylpropyl)phenol
SMILESOc1cccc(Cl)c1CCCN1CCOCC1
InChIInChI=1S/C13H18ClNO2/c14-12-4-1-5-13(16)11(12)3-2-6-15-7-9-17-10-8-15/h1,4-5,16H,2-3,6-10H2
InChIKeyMODUWIVLTFLZRU-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.31
Rot. Bonds4

About 3-chloro-2-(3-morpholin-4-ylpropyl)phenol

3-chloro-2-(3-morpholin-4-ylpropyl)phenol (PubChem CID 170869480) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 3-chloro-2-(3-morpholin-4-ylpropyl)phenol.

Molecular Properties

Compound Name3-chloro-2-(3-morpholin-4-ylpropyl)phenol
PubChem CID170869480
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name3-chloro-2-(3-morpholin-4-ylpropyl)phenol
SMILESOc1cccc(Cl)c1CCCN1CCOCC1
InChIInChI=1S/C13H18ClNO2/c14-12-4-1-5-13(16)11(12)3-2-6-15-7-9-17-10-8-15/h1,4-5,16H,2-3,6-10H2
InChIKeyMODUWIVLTFLZRU-UHFFFAOYSA-N
XLogP2.31
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3,5-dimethyl-2-(3-morpholin-4-ylpropyl)phenol
CID 170869854
3,5-difluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869741
4-[3-(4-chloro-1-benzothiophen-2-yl)propyl]morpholine
CID 170870855
4-[3-(4,6-dichloropyrimidin-5-yl)propyl]morpholine
CID 170871352
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
5-methyl-4-(3-morpholin-4-ylpropyl)benzene-1,3-diol
CID 170869328
4-[3-[3-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869982
4-[3-[4-(2-chlorophenyl)phenyl]propyl]morpholine
CID 170869885
3,4-dichloro-2-(morpholin-4-ylmethyl)phenol
CID 12823160
4-[3-[12-(3-morpholin-4-ylpropyl)tetracen-5-yl]propyl]morpholine
CID 170870035
N-[(2-chloro-6-fluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 4720319

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-morpholin-4-ylpropyl)phenol?
The IUPAC name of 3-chloro-2-(3-morpholin-4-ylpropyl)phenol (CID 170869480) is 3-chloro-2-(3-morpholin-4-ylpropyl)phenol.
What is the SMILES notation for 3-chloro-2-(3-morpholin-4-ylpropyl)phenol?
The canonical SMILES for 3-chloro-2-(3-morpholin-4-ylpropyl)phenol is Oc1cccc(Cl)c1CCCN1CCOCC1.
What is the InChIKey of 3-chloro-2-(3-morpholin-4-ylpropyl)phenol?
The InChIKey is MODUWIVLTFLZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c14-12-4-1-5-13(16)11(12)3-2-6-15-7-9-17-10-8-15/h1,4-5,16H,2-3,6-10H2.
What are the key properties of 3-chloro-2-(3-morpholin-4-ylpropyl)phenol?
3-chloro-2-(3-morpholin-4-ylpropyl)phenol has a molecular weight of 255.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-morpholin-4-ylpropyl)phenol is sourced from PubChem (CID 170869480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).