(2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol

C16H16ClFO2 — CID 62303344

IUPAC(2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
SMILESCCOc1ccc(C)cc1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFO2/c1-3-20-15-7-4-10(2)8-13(15)16(19)12-6-5-11(18)9-14(12)17/h4-9,16,19H,3H2,1-2H3
InChIKeyLANWLFNJLZSFST-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.27
Rot. Bonds4

About (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol

(2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol (PubChem CID 62303344) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
PubChem CID62303344
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
SMILESCCOc1ccc(C)cc1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C16H16ClFO2/c1-3-20-15-7-4-10(2)8-13(15)16(19)12-6-5-11(18)9-14(12)17/h4-9,16,19H,3H2,1-2H3
InChIKeyLANWLFNJLZSFST-UHFFFAOYSA-N
XLogP4.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4-fluorophenyl)-(2-methoxy-5-methylphenyl)methanol
CID 61080374
(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 81266896
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
(4-bromo-2-methylphenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 62302334
(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63893443
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
2-[chloro-(2-ethoxy-5-methylphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63444048
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 63899302
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(5-bromo-2-ethoxyphenyl)-(2,4-difluorophenyl)methanol
CID 61083035
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(4-butan-2-ylphenyl)-(2-chloro-4-fluorophenyl)methanol
CID 63426189

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol (CID 62303344) is (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol is CCOc1ccc(C)cc1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
The InChIKey is LANWLFNJLZSFST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-3-20-15-7-4-10(2)8-13(15)16(19)12-6-5-11(18)9-14(12)17/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
(2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol has a molecular weight of 294.75 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol is sourced from PubChem (CID 62303344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).