(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone

C16H14ClFO2 — CID 63081224

IUPAC(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H14ClFO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9H2,1H3
InChIKeyMKTNUCJSTWEJTQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.50
Rot. Bonds5

About (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone

(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone (PubChem CID 63081224) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
PubChem CID63081224
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(Cl)cc2F)cc1
InChIInChI=1S/C16H14ClFO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9H2,1H3
InChIKeyMKTNUCJSTWEJTQ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
(5-fluoro-2-methylphenyl)-(4-propoxyphenyl)methanone
CID 63409331
(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(5-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methanone
CID 114885218
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
CID 63492692
(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
(3-bromo-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 107957126

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone (CID 63081224) is (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(Cl)cc2F)cc1.
What is the InChIKey of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone?
The InChIKey is MKTNUCJSTWEJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-2-9-20-13-6-3-11(4-7-13)16(19)14-8-5-12(17)10-15(14)18/h3-8,10H,2,9H2,1H3.
What are the key properties of (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone?
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone has a molecular weight of 292.74 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 63081224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).