2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol

C17H18ClFO2 — CID 102621217

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1CC(CO)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H18ClFO2/c1-21-17-5-3-2-4-13(17)8-12(11-20)9-14-10-15(19)6-7-16(14)18/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyWWJSNZGBYQNMBD-UHFFFAOYSA-N
MW308.78 g/mol
LogP3.88
Rot. Bonds6

About 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol

2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol (PubChem CID 102621217) has the molecular formula C17H18ClFO2 and a molecular weight of 308.78 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
PubChem CID102621217
Molecular FormulaC17H18ClFO2
Molecular Weight308.78 g/mol
Exact Mass308.10
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1CC(CO)Cc1cc(F)ccc1Cl
InChIInChI=1S/C17H18ClFO2/c1-21-17-5-3-2-4-13(17)8-12(11-20)9-14-10-15(19)6-7-16(14)18/h2-7,10,12,20H,8-9,11H2,1H3
InChIKeyWWJSNZGBYQNMBD-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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Related Compounds

2-[(2,4-difluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 66058898
[1-(2-chloro-5-fluorophenyl)-3-(2-methoxyphenyl)propan-2-yl]hydrazine
CID 102623265
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
1-[2-[(2-chloro-5-fluorophenyl)methoxy]phenyl]butan-2-amine
CID 102619488
1-(2-chlorophenyl)-3-(2-methoxyphenyl)propan-2-ol
CID 61261227
2-(ethoxymethyl)-3-(2-methoxyphenyl)propan-1-ol
CID 103985033
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66059249
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methoxybenzene
CID 66033709
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
1-[2-(bromomethyl)-3-(3-fluorophenyl)propyl]-2-methoxybenzene
CID 66041110
2-[(5-chloro-2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-amine
CID 103049616
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 66059093

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol (CID 102621217) is 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol is COc1ccccc1CC(CO)Cc1cc(F)ccc1Cl.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
The InChIKey is WWJSNZGBYQNMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO2/c1-21-17-5-3-2-4-13(17)8-12(11-20)9-14-10-15(19)6-7-16(14)18/h2-7,10,12,20H,8-9,11H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol?
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-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-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 102621217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).