1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol

C11H12ClFO — CID 117305949

IUPAC1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
SMILESCc1cc(Cl)cc(CC2(O)CC2)c1F
InChIInChI=1S/C11H12ClFO/c1-7-4-9(12)5-8(10(7)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyDNVMCTJZKPBVNP-UHFFFAOYSA-N
MW214.67 g/mol
LogP2.85
Rot. Bonds2

About 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol

1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol (PubChem CID 117305949) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
PubChem CID117305949
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
SMILESCc1cc(Cl)cc(CC2(O)CC2)c1F
InChIInChI=1S/C11H12ClFO/c1-7-4-9(12)5-8(10(7)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyDNVMCTJZKPBVNP-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol 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

4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
5-chloro-1-ethyl-2-fluoro-3-methylbenzene
CID 130776841
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
CID 117286145
1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
CID 117305950
1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608
1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
1-[(5-chloro-2-propan-2-ylphenyl)methyl]cyclopropan-1-ol
CID 117322636
ethyl 2-(5-chloro-2-fluoro-3-methylphenyl)acetate
CID 171028434
3-(5-chloro-2-fluoro-3-methylphenyl)propan-1-amine
CID 84776580
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
1-[(3-tert-butyl-5-chloro-2-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117425603

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol (CID 117305949) is 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol is Cc1cc(Cl)cc(CC2(O)CC2)c1F.
What is the InChIKey of 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol?
The InChIKey is DNVMCTJZKPBVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c1-7-4-9(12)5-8(10(7)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol?
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol has a molecular weight of 214.67 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117305949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).