1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol

C15H13ClO2 — CID 141111166

IUPAC1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO2/c1-2-15(17)11-5-3-7-13(9-11)18-14-8-4-6-12(16)10-14/h2-10,15,17H,1H2
InChIKeyLZBYMOIWYBNCAP-UHFFFAOYSA-N
MW260.72 g/mol
LogP4.35
Rot. Bonds4

About 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol

1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol (PubChem CID 141111166) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol
PubChem CID141111166
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Name1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol
SMILESC=CC(O)c1cccc(Oc2cccc(Cl)c2)c1
InChIInChI=1S/C15H13ClO2/c1-2-15(17)11-5-3-7-13(9-11)18-14-8-4-6-12(16)10-14/h2-10,15,17H,1H2
InChIKeyLZBYMOIWYBNCAP-UHFFFAOYSA-N
XLogP4.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(3-chlorophenoxy)phenyl]boronic acid
CID 163253662
(3-chlorophenyl) prop-2-enoate
CID 10241458
1-[3-(difluoromethyl)phenyl]prop-2-en-1-ol
CID 115527641
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
1-chloro-3-[(1S)-1-phenylbut-3-enoxy]benzene
CID 122689566
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
2-(3-chlorophenoxy)-1-(3-chlorophenyl)ethanol
CID 115766354
1-[7-(3-chlorophenoxy)-3,4-dihydro-1H-isoquinolin-2-yl]prop-2-en-1-one
CID 166130044
2-(3-chlorophenoxy)-1-(3-ethoxyphenyl)ethanol
CID 105119515
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
1-(3-chlorophenoxy)but-3-en-2-amine
CID 105161067

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol?
The IUPAC name of 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol (CID 141111166) is 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol?
The canonical SMILES for 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol is C=CC(O)c1cccc(Oc2cccc(Cl)c2)c1.
What is the InChIKey of 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol?
The InChIKey is LZBYMOIWYBNCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-2-15(17)11-5-3-7-13(9-11)18-14-8-4-6-12(16)10-14/h2-10,15,17H,1H2.
What are the key properties of 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol?
1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol has a molecular weight of 260.72 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenoxy)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 141111166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).