2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol

C17H18ClFO2 — CID 103041987

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFO2/c1-21-15-4-2-3-12(9-15)7-14(11-20)8-13-5-6-17(19)16(18)10-13/h2-6,9-10,14,20H,7-8,11H2,1H3
InChIKeyWLQJSMNXXCLRLU-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.88
Rot. Bonds6

About 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol

2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol (PubChem CID 103041987) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
PubChem CID103041987
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol
SMILESCOc1cccc(CC(CO)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFO2/c1-21-15-4-2-3-12(9-15)7-14(11-20)8-13-5-6-17(19)16(18)10-13/h2-6,9-10,14,20H,7-8,11H2,1H3
InChIKeyWLQJSMNXXCLRLU-UHFFFAOYSA-N
XLogP3.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol (CID 103041987) is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol is COc1cccc(CC(CO)Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
The InChIKey is WLQJSMNXXCLRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-21-15-4-2-3-12(9-15)7-14(11-20)8-13-5-6-17(19)16(18)10-13/h2-6,9-10,14,20H,7-8,11H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol?
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol has a molecular weight of 308.78 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 103041987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).