(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol

C16H16ClFO2 — CID 104658590

IUPAC(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1c(F)cccc1Cl
InChIInChI=1S/C16H16ClFO2/c1-2-10-20-14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-9,16,19H,2,10H2,1H3
InChIKeyPIIRHEXQXHFGKB-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.35
Rot. Bonds5

About (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol

(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol (PubChem CID 104658590) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
PubChem CID104658590
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
SMILESCCCOc1ccccc1C(O)c1c(F)cccc1Cl
InChIInChI=1S/C16H16ClFO2/c1-2-10-20-14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-9,16,19H,2,10H2,1H3
InChIKeyPIIRHEXQXHFGKB-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63895624
2-(2,6-difluorophenyl)-1-(2-propoxyphenyl)ethanol
CID 115833036
1-(2,6-dichlorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 105035881
1-(2,6-difluorophenyl)-N-methyl-1-(2-propoxyphenyl)methanamine
CID 104660446
(4-chloro-2-methoxyphenyl)-(2-propoxyphenyl)methanol
CID 115833005
(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659559
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(3-bromo-4-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658638
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301
1-(2-propoxyphenyl)ethanol
CID 43503976
(2-bromo-5-fluorophenyl)-(2-propoxyphenyl)methanol
CID 115833056

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol?
The IUPAC name of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol (CID 104658590) is (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol is CCCOc1ccccc1C(O)c1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol?
The InChIKey is PIIRHEXQXHFGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-2-10-20-14-9-4-3-6-11(14)16(19)15-12(17)7-5-8-13(15)18/h3-9,16,19H,2,10H2,1H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol?
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol has a molecular weight of 294.75 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol is sourced from PubChem (CID 104658590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).