(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol

C16H16ClFO3 — CID 104659559

IUPAC(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO3/c1-20-9-10-21-14-8-3-2-5-11(14)16(19)12-6-4-7-13(17)15(12)18/h2-8,16,19H,9-10H2,1H3
InChIKeyAFYMHDXNVWWPNI-UHFFFAOYSA-N
MW310.75 g/mol
LogP3.59
Rot. Bonds6

About (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol

(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol (PubChem CID 104659559) has the molecular formula C16H16ClFO3 and a molecular weight of 310.75 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
PubChem CID104659559
Molecular FormulaC16H16ClFO3
Molecular Weight310.75 g/mol
Exact Mass310.08
IUPAC Name(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1ccccc1C(O)c1cccc(Cl)c1F
InChIInChI=1S/C16H16ClFO3/c1-20-9-10-21-14-8-3-2-5-11(14)16(19)12-6-4-7-13(17)15(12)18/h2-8,16,19H,9-10H2,1H3
InChIKeyAFYMHDXNVWWPNI-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658593
[2-(2-methoxyethoxy)phenyl]-(2-methylfuran-3-yl)methanol
CID 104789530
(3-chloro-2-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanol
CID 81266896
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658590
(2-chlorophenyl)-(2-ethoxyphenyl)methanol
CID 62802056
2-amino-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 102533880
3-[2-(2-methoxyethoxy)phenyl]butan-2-ol
CID 104662429
2,2-dimethoxy-1-[2-(2-methoxyethoxy)phenyl]ethanol
CID 104658798
1-[2-[(3-chloro-2-fluorophenyl)methoxy]phenyl]ethanol
CID 102856269
3-amino-1-[2-(2-methoxyethoxy)phenyl]propan-1-ol
CID 104658969
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
[2-(2-methoxyethoxy)phenyl]-(3-methyl-2-pyridinyl)methanol
CID 104659512

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol (CID 104659559) is (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol is COCCOc1ccccc1C(O)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is AFYMHDXNVWWPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO3/c1-20-9-10-21-14-8-3-2-5-11(14)16(19)12-6-4-7-13(17)15(12)18/h2-8,16,19H,9-10H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol?
(3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 310.75 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 104659559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).