(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol

C16H16ClFO2 — CID 63082099

IUPAC(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H16ClFO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10,16,19H,2,9H2,1H3
InChIKeyCUZPVUZLPVBVCI-UHFFFAOYSA-N
MW294.75 g/mol
LogP4.35
Rot. Bonds5

About (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol

(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol (PubChem CID 63082099) has the molecular formula C16H16ClFO2 and a molecular weight of 294.75 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
PubChem CID63082099
Molecular FormulaC16H16ClFO2
Molecular Weight294.75 g/mol
Exact Mass294.08
IUPAC Name(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol
SMILESCCCOc1ccc(C(O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H16ClFO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10,16,19H,2,9H2,1H3
InChIKeyCUZPVUZLPVBVCI-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

Analyze (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoro-4-propoxyphenyl)ethanol
CID 107719521
(4-chloro-2-fluorophenyl)-(4-iodophenyl)methanol
CID 115827844
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398
(3,5-dichloro-2-pyridinyl)-(4-propoxyphenyl)methanol
CID 79781093
(3-chloro-4-methylphenyl)-(4-propoxyphenyl)methanol
CID 115795362
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 104662002
(2,5-dichlorophenyl)-(3-propoxyphenyl)methanol
CID 62919523
(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methanol
CID 115829147
(5-chloro-2-methylphenyl)-(4-propoxyphenyl)methanamine
CID 115853390
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(5-chloro-1,3-thiazol-2-yl)-(4-propoxyphenyl)methanol
CID 107124967
(4-ethylphenyl)-(4-propoxyphenyl)methanol
CID 62796114

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol (CID 63082099) is (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol?
The InChIKey is CUZPVUZLPVBVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10,16,19H,2,9H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol?
(4-chloro-2-fluorophenyl)-(4-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 (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 63082099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).