3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol

C18H17FO2 — CID 105374454

IUPAC3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
SMILESCc1ccc(OCc2cc(F)ccc2C)c(C#CCO)c1
InChIInChI=1S/C18H17FO2/c1-13-5-8-18(15(10-13)4-3-9-20)21-12-16-11-17(19)7-6-14(16)2/h5-8,10-11,20H,9,12H2,1-2H3
InChIKeyDLRYGTLLCUFCTF-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.37
Rot. Bonds3

About 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol

3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol (PubChem CID 105374454) has the molecular formula C18H17FO2 and a molecular weight of 284.33 g/mol. Its IUPAC name is 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
PubChem CID105374454
Molecular FormulaC18H17FO2
Molecular Weight284.33 g/mol
Exact Mass284.12
IUPAC Name3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
SMILESCc1ccc(OCc2cc(F)ccc2C)c(C#CCO)c1
InChIInChI=1S/C18H17FO2/c1-13-5-8-18(15(10-13)4-3-9-20)21-12-16-11-17(19)7-6-14(16)2/h5-8,10-11,20H,9,12H2,1-2H3
InChIKeyDLRYGTLLCUFCTF-UHFFFAOYSA-N
XLogP3.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-[(2-chloro-4-methylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 106868906
3-[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 61482091
3-[2-[(4-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 114857333
[2-[(2,5-dimethylphenyl)methoxy]-5-fluorophenyl]methanol
CID 107698577
2-(3-chloroprop-1-ynyl)-1-[(2,5-dimethylphenyl)methoxy]-4-methylbenzene
CID 63418732
3-[2-[(2-chlorophenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol
CID 60801804
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
3-[5-methyl-2-(pyrimidin-2-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 55108396
3-[5-methyl-2-[(3-methylphenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 60800065
4-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800953
2-(bromomethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698949
4-[2-[(2-fluorophenyl)methoxy]-5-methylphenyl]but-3-yn-1-ol
CID 60800079

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol (CID 105374454) is 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol is Cc1ccc(OCc2cc(F)ccc2C)c(C#CCO)c1.
What is the InChIKey of 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
The InChIKey is DLRYGTLLCUFCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO2/c1-13-5-8-18(15(10-13)4-3-9-20)21-12-16-11-17(19)7-6-14(16)2/h5-8,10-11,20H,9,12H2,1-2H3.
What are the key properties of 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol?
3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol has a molecular weight of 284.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-fluoro-2-methylphenyl)methoxy]-5-methylphenyl]prop-2-yn-1-ol is sourced from PubChem (CID 105374454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).