2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol

C16H16ClFO2 — CID 178141171

IUPAC2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
SMILESCCCc1ccc(OCc2c(F)cccc2Cl)c(O)c1
InChIInChI=1S/C16H16ClFO2/c1-2-4-11-7-8-16(15(19)9-11)20-10-12-13(17)5-3-6-14(12)18/h3,5-9,19H,2,4,10H2,1H3
InChIKeyPGDBPEKHIDZJPC-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.72
Rot. Bonds5

About 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol

2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol (PubChem CID 178141171) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
PubChem CID178141171
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
SMILESCCCc1ccc(OCc2c(F)cccc2Cl)c(O)c1
InChIInChI=1S/C16H16ClFO2/c1-2-4-11-7-8-16(15(19)9-11)20-10-12-13(17)5-3-6-14(12)18/h3,5-9,19H,2,4,10H2,1H3
InChIKeyPGDBPEKHIDZJPC-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(2-chloro-6-fluorophenyl)methoxy]-3-methyl-2-propylphenol;ethane
CID 178141535
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
3-[(2-chloro-6-fluorophenyl)methoxy]naphthalen-2-ol
CID 60723029
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-amine
CID 170878343
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
4-[(2-chloro-6-fluorophenyl)methoxy]-3-ethoxybenzoic acid
CID 22685655
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
2-amino-3-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]propan-1-ol
CID 170892579
2-[[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]butan-1-ol
CID 4719354

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol (CID 178141171) is 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol is CCCc1ccc(OCc2c(F)cccc2Cl)c(O)c1.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol?
The InChIKey is PGDBPEKHIDZJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-2-4-11-7-8-16(15(19)9-11)20-10-12-13(17)5-3-6-14(12)18/h3,5-9,19H,2,4,10H2,1H3.
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol?
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol has a molecular weight of 294.75 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol is sourced from PubChem (CID 178141171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).