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

C16H16ClFO2 — CID 81266896

IUPAC(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
SMILESCCOc1ccc(C)cc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO2/c1-3-20-14-8-7-10(2)9-12(14)16(19)11-5-4-6-13(17)15(11)18/h4-9,16,19H,3H2,1-2H3
InChIKeyDOHPEEQCJAYVSD-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.27
Rot. Bonds4

About (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol

(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol (PubChem CID 81266896) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
PubChem CID81266896
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
SMILESCCOc1ccc(C)cc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO2/c1-3-20-14-8-7-10(2)9-12(14)16(19)11-5-4-6-13(17)15(11)18/h4-9,16,19H,3H2,1-2H3
InChIKeyDOHPEEQCJAYVSD-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-ethoxy-5-methylphenyl)methanol
CID 62303344
(2-ethoxy-5-methylphenyl)-(2-methylphenyl)methanol
CID 62302666
(2-ethoxy-5-methylphenyl)-(3-fluorophenyl)methanol
CID 62301823
(2-ethoxyphenyl)-(2-fluoro-5-methylphenyl)methanol
CID 63893443
(1S)-1-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-methylphenyl]ethanol
CID 102856296
1,2-dichloro-3-[chloro-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 63443873
(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104659559
1-chloro-2-[2-chloro-2-(2-ethoxy-5-methylphenyl)ethyl]-3-fluorobenzene
CID 63447690
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
(2-chloro-6-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 104817103
(2,3-difluoro-4-methylphenyl)-(2-ethoxyphenyl)methanol
CID 107512126

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol (CID 81266896) is (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol is CCOc1ccc(C)cc1C(O)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
The InChIKey is DOHPEEQCJAYVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-3-20-14-8-7-10(2)9-12(14)16(19)11-5-4-6-13(17)15(11)18/h4-9,16,19H,3H2,1-2H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol?
(3-chloro-2-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 (3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol is sourced from PubChem (CID 81266896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).