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

C17H18ClFO — CID 103041983

IUPAC2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFO/c1-12-3-2-4-13(7-12)8-15(11-20)9-14-5-6-17(19)16(18)10-14/h2-7,10,15,20H,8-9,11H2,1H3
InChIKeyIRBWVSCJFBMJEO-UHFFFAOYSA-N
MW292.78 g/mol
LogP4.18
Rot. Bonds5

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

2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (PubChem CID 103041983) has the molecular formula C17H18ClFO and a molecular weight of 292.78 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
PubChem CID103041983
Molecular FormulaC17H18ClFO
Molecular Weight292.78 g/mol
Exact Mass292.10
IUPAC Name2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
SMILESCc1cccc(CC(CO)Cc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H18ClFO/c1-12-3-2-4-13(7-12)8-15(11-20)9-14-5-6-17(19)16(18)10-14/h2-7,10,15,20H,8-9,11H2,1H3
InChIKeyIRBWVSCJFBMJEO-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-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 103040965
2-[(5-chloro-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 103051205
2-[(3-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)propan-1-ol
CID 103041980
3-(3-chloro-4-fluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 103041993
2-[(2-chloro-5-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 102621201
2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001620
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
2-[(4-iodophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66058853
2-[(4-bromo-2-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol
CID 66059065
2-[(4-chlorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62530370
2-[(5-chloro-2-fluorophenyl)methyl]-3-(4-methylphenyl)propan-1-ol
CID 103051196
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol (CID 103041983) is 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is Cc1cccc(CC(CO)Cc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
The InChIKey is IRBWVSCJFBMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFO/c1-12-3-2-4-13(7-12)8-15(11-20)9-14-5-6-17(19)16(18)10-14/h2-7,10,15,20H,8-9,11H2,1H3.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol?
2-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-ol is sourced from PubChem (CID 103041983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).