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

C17H18ClFO — CID 102621201

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C17H18ClFO/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-10-16(19)5-6-17(15)18/h2-7,10,14,20H,8-9,11H2,1H3
InChIKeyOVACGOWCIGMREV-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.18
Rot. Bonds5

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

2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (PubChem CID 102621201) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
PubChem CID102621201
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2cc(F)ccc2Cl)c1
InChIInChI=1S/C17H18ClFO/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-10-16(19)5-6-17(15)18/h2-7,10,14,20H,8-9,11H2,1H3
InChIKeyOVACGOWCIGMREV-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.78
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103041983
2-[(3-chlorophenyl)methyl]-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375957
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-[(2-chloro-5-fluorophenyl)methyl]-3-(2-methoxyphenyl)propan-1-ol
CID 102621217
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-benzyl-3-(2-chloro-4-fluorophenyl)propan-1-ol
CID 66058724
2-[(2,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)propan-1-ol
CID 66059249
2-[(2,4-difluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530586
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
2-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 114348807

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (CID 102621201) is 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CC(CO)Cc2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The InChIKey is OVACGOWCIGMREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-12-3-2-4-13(7-12)8-14(11-20)9-15-10-16(19)5-6-17(15)18/h2-7,10,14,20H,8-9,11H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol has a molecular weight of 292.78 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 102621201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).