5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

C17H16Cl2O2 — CID 60627582

IUPAC5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3ccc(Cl)c(Cl)c3)cccc21
InChIInChI=1S/C17H16Cl2O2/c18-14-8-7-11(9-15(14)19)10-21-17-6-2-3-12-13(17)4-1-5-16(12)20/h2-3,6-9,16,20H,1,4-5,10H2
InChIKeyMHQGWYAXXUJMFZ-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.94
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol

5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 60627582) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID60627582
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3ccc(Cl)c(Cl)c3)cccc21
InChIInChI=1S/C17H16Cl2O2/c18-14-8-7-11(9-15(14)19)10-21-17-6-2-3-12-13(17)4-1-5-16(12)20/h2-3,6-9,16,20H,1,4-5,10H2
InChIKeyMHQGWYAXXUJMFZ-UHFFFAOYSA-N
XLogP4.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102616513
(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 94178772
5-[(1-ethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65454842
5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115582286
5-(1,2,4-oxadiazol-3-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60703094
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
5-[(2-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711814
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60746651
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
5-[(3-propan-2-ylimidazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 66152504
N-(3-chlorophenyl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 39921895

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 60627582) is 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCc3ccc(Cl)c(Cl)c3)cccc21.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is MHQGWYAXXUJMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c18-14-8-7-11(9-15(14)19)10-21-17-6-2-3-12-13(17)4-1-5-16(12)20/h2-3,6-9,16,20H,1,4-5,10H2.
What are the key properties of 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 323.22 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 60627582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).