3-(3,5-dichloro-4-fluorophenyl)propan-1-ol

C9H9Cl2FO — CID 117318967

IUPAC3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
SMILESOCCCc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2FO/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h4-5,13H,1-3H2
InChIKeyCYCQODGHJYDRMQ-UHFFFAOYSA-N
MW223.07 g/mol
LogP3.06
Rot. Bonds3

About 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol

3-(3,5-dichloro-4-fluorophenyl)propan-1-ol (PubChem CID 117318967) has the molecular formula C9H9Cl2FO and a molecular weight of 223.07 g/mol. Its IUPAC name is 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
PubChem CID117318967
Molecular FormulaC9H9Cl2FO
Molecular Weight223.07 g/mol
Exact Mass222.00
IUPAC Name3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
SMILESOCCCc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C9H9Cl2FO/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h4-5,13H,1-3H2
InChIKeyCYCQODGHJYDRMQ-UHFFFAOYSA-N
XLogP3.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 66733620
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
6-(3,4,5-trifluorophenyl)hexan-1-ol
CID 174855228
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
CID 117291231
3-(3-ethyl-5-fluorophenyl)propan-1-ol
CID 117279245
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
3-(3-chloro-2,5-difluoro-6-methoxyphenyl)propan-1-ol
CID 117345741
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509
2-(3-chloro-4,5-difluorophenyl)ethanamine
CID 117282784
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol (CID 117318967) is 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol is OCCCc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol?
The InChIKey is CYCQODGHJYDRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FO/c10-7-4-6(2-1-3-13)5-8(11)9(7)12/h4-5,13H,1-3H2.
What are the key properties of 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol?
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol has a molecular weight of 223.07 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 117318967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).