1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol

C11H12ClFO2 — CID 117333318

IUPAC1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)cc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c1-15-9-5-7(4-8(12)10(9)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyPRODHGDZMUFXNW-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.56
Rot. Bonds3

About 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol

1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol (PubChem CID 117333318) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
PubChem CID117333318
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)cc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c1-15-9-5-7(4-8(12)10(9)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3
InChIKeyPRODHGDZMUFXNW-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
1-[(3-chloro-4-cyclopropyl-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117384891
1-(3-chloro-4-fluoro-5-methoxyphenyl)propan-2-ol
CID 117311647
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
4-(3-chloro-4-fluoro-5-methoxyphenyl)butanoic acid
CID 117369145
1-[[3,5-difluoro-4-(methoxymethyl)phenyl]methyl]cyclopropan-1-ol
CID 117328603
1-[(3-fluoro-4-methoxyphenyl)methyl]cyclobutan-1-ol
CID 79080855
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776
1-[(3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 62669869
1-[(3-cyclobutyloxy-4-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117374029
1-[(2-ethyl-5-fluoro-3-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117322147
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117341308

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol (CID 117333318) is 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol is COc1cc(CC2(O)CC2)cc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol?
The InChIKey is PRODHGDZMUFXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-15-9-5-7(4-8(12)10(9)13)6-11(14)2-3-11/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol?
1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol has a molecular weight of 230.67 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117333318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).