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

C17H16ClFO2 — CID 102616513

IUPAC5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3cc(F)ccc3Cl)cccc21
InChIInChI=1S/C17H16ClFO2/c18-15-8-7-12(19)9-11(15)10-21-17-6-2-3-13-14(17)4-1-5-16(13)20/h2-3,6-9,16,20H,1,4-5,10H2
InChIKeyMTDMPLRJQPWDJI-UHFFFAOYSA-N
MW306.76 g/mol
LogP4.43
Rot. Bonds3

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

5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 102616513) has the molecular formula C17H16ClFO2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID102616513
Molecular FormulaC17H16ClFO2
Molecular Weight306.76 g/mol
Exact Mass306.08
IUPAC Name5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CCCc2c(OCc3cc(F)ccc3Cl)cccc21
InChIInChI=1S/C17H16ClFO2/c18-15-8-7-12(19)9-11(15)10-21-17-6-2-3-13-14(17)4-1-5-16(13)20/h2-3,6-9,16,20H,1,4-5,10H2
InChIKeyMTDMPLRJQPWDJI-UHFFFAOYSA-N
XLogP4.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-bromo-4-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711814
4-[(2-chloro-5-fluorophenyl)methoxy]-2,3-dihydro-1H-inden-1-amine
CID 102615215
5-[(3,4-dichlorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60627582
5-[(2-bromophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 60711761
5-[(5-fluoro-2-methylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 105370357
5-(2,2-difluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 65456544
5-[(2,4-difluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454214
(1R)-5-[(5-chlorothiadiazol-4-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 94178772
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
3-fluoro-4-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxymethyl]benzonitrile
CID 60728066
4-[(2-bromophenyl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 63091043

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 102616513) is 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CCCc2c(OCc3cc(F)ccc3Cl)cccc21.
What is the InChIKey of 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is MTDMPLRJQPWDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFO2/c18-15-8-7-12(19)9-11(15)10-21-17-6-2-3-13-14(17)4-1-5-16(13)20/h2-3,6-9,16,20H,1,4-5,10H2.
What are the key properties of 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol?
5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 306.76 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-5-fluorophenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 102616513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).