2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol

C15H14ClFO2 — CID 174367428

IUPAC2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol
SMILESOc1ccc(OCCCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H14ClFO2/c16-14-10-13(6-7-15(14)18)19-8-2-4-11-3-1-5-12(17)9-11/h1,3,5-7,9-10,18H,2,4,8H2
InChIKeyFTVCUOSUXYMFMH-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.20
Rot. Bonds5

About 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol

2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol (PubChem CID 174367428) has the molecular formula C15H14ClFO2 and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol.

Molecular Properties

Compound Name2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol
PubChem CID174367428
Molecular FormulaC15H14ClFO2
Molecular Weight280.73 g/mol
Exact Mass280.07
IUPAC Name2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol
SMILESOc1ccc(OCCCc2cccc(F)c2)cc1Cl
InChIInChI=1S/C15H14ClFO2/c16-14-10-13(6-7-15(14)18)19-8-2-4-11-3-1-5-12(17)9-11/h1,3,5-7,9-10,18H,2,4,8H2
InChIKeyFTVCUOSUXYMFMH-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[3-(4-chlorophenoxy)propoxy]phenol
CID 174353269
1,3-dichloro-2-[2-(3-fluorophenyl)ethoxy]benzene
CID 140972707
2-chloro-4-(2-methoxyethoxy)phenol
CID 125116302
4-[3-(3-fluorophenoxy)propyl]aniline
CID 113384386
2-chloro-4-[3-(3-chloro-4-hydroxyphenyl)propyl]phenol
CID 57252301
N-[3-(3-fluorophenyl)propoxy]methanamine
CID 117126889
4-[4-[5-(3-fluorophenyl)pentoxy]phenyl]benzamide
CID 58276440
N-[3-(3-chloro-4-hydroxyphenoxy)propyl]furan-2-carboxamide
CID 174406685
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
2-[[4-[3-(3-fluorophenyl)propoxy]phenyl]methylamino]-3-hydroxypropanamide
CID 19388171
1-chloro-3-(3-phenoxypropyl)benzene
CID 141357822
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol?
The IUPAC name of 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol (CID 174367428) is 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol.
What is the SMILES notation for 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol?
The canonical SMILES for 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol is Oc1ccc(OCCCc2cccc(F)c2)cc1Cl.
What is the InChIKey of 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol?
The InChIKey is FTVCUOSUXYMFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2/c16-14-10-13(6-7-15(14)18)19-8-2-4-11-3-1-5-12(17)9-11/h1,3,5-7,9-10,18H,2,4,8H2.
What are the key properties of 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol?
2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol has a molecular weight of 280.73 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(3-fluorophenyl)propoxy]phenol is sourced from PubChem (CID 174367428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).