4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol

C10H9ClF2O2 — CID 117341308

IUPAC4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
SMILESOc1c(F)cc(Cl)c(F)c1CC1(O)CC1
InChIInChI=1S/C10H9ClF2O2/c11-6-3-7(12)9(14)5(8(6)13)4-10(15)1-2-10/h3,14-15H,1-2,4H2
InChIKeyIUZXQUAIKUDYNR-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.39
Rot. Bonds2

About 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol

4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol (PubChem CID 117341308) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol.

Molecular Properties

Compound Name4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
PubChem CID117341308
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
SMILESOc1c(F)cc(Cl)c(F)c1CC1(O)CC1
InChIInChI=1S/C10H9ClF2O2/c11-6-3-7(12)9(14)5(8(6)13)4-10(15)1-2-10/h3,14-15H,1-2,4H2
InChIKeyIUZXQUAIKUDYNR-UHFFFAOYSA-N
XLogP2.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-[(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117400326
1-[(3,5-dichloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117341493
1-(3-chloro-2,5-difluoro-6-hydroxyphenyl)propan-2-one
CID 117314974
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
2-[(1-aminocyclopropyl)methyl]-6-chloro-3,4-difluorophenol
CID 117339512
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-3,6-dimethylphenol
CID 117326090
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
4-chloro-3,6-difluoro-2-(piperidin-4-ylmethyl)phenol
CID 117409129
6-chloro-3,4-difluoro-2-(1-hydroxycyclopropyl)phenol
CID 117314971
1-[(3-chloro-4-fluoro-5-methoxyphenyl)methyl]cyclopropan-1-ol
CID 117333318
5-chloro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxy-3-methylphenol
CID 117358714
1-[(2-chloro-3-fluoro-6-methylphenyl)methyl]cyclopropan-1-ol
CID 117305950

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
The IUPAC name of 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol (CID 117341308) is 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol.
What is the SMILES notation for 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
The canonical SMILES for 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol is Oc1c(F)cc(Cl)c(F)c1CC1(O)CC1.
What is the InChIKey of 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
The InChIKey is IUZXQUAIKUDYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c11-6-3-7(12)9(14)5(8(6)13)4-10(15)1-2-10/h3,14-15H,1-2,4H2.
What are the key properties of 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol?
4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol has a molecular weight of 234.63 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3,6-difluoro-2-[(1-hydroxycyclopropyl)methyl]phenol is sourced from PubChem (CID 117341308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).