(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone

C16H14Cl2O2 — CID 63492692

IUPAC(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-7-6-12(17)10-15(14)18/h3-7,9-10H,2,8H2,1H3
InChIKeyVAINZDXYCBFSHP-UHFFFAOYSA-N
MW309.19 g/mol
LogP5.01
Rot. Bonds5

About (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone

(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone (PubChem CID 63492692) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
PubChem CID63492692
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Name(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-7-6-12(17)10-15(14)18/h3-7,9-10H,2,8H2,1H3
InChIKeyVAINZDXYCBFSHP-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.19
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluorophenyl)-(3-propoxyphenyl)methanone
CID 62920519
(2-chloro-3-pyridinyl)-(3-propoxyphenyl)methanone
CID 139998072
(2,4-dichlorophenyl)-(3-propylphenyl)methanone
CID 115812034
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
4-chloro-2-methoxy-N'-(3-propoxybenzoyl)benzohydrazide
CID 55792202
2,4-dichloro-N'-(3-ethoxybenzoyl)benzohydrazide
CID 4957514
2,4-dichloro-N-[(E)-(3-propoxyphenyl)methylideneamino]benzamide
CID 110340424
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
(3-bromo-2-fluorophenyl)-(3-propoxyphenyl)methanone
CID 106647344
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
(2,5-dibromothiophen-3-yl)-(3-propoxyphenyl)methanone
CID 63491827
3-propoxybenzamide
CID 22311435

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone (CID 63492692) is (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)c2ccc(Cl)cc2Cl)c1.
What is the InChIKey of (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone?
The InChIKey is VAINZDXYCBFSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O2/c1-2-8-20-13-5-3-4-11(9-13)16(19)14-7-6-12(17)10-15(14)18/h3-7,9-10H,2,8H2,1H3.
What are the key properties of (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone?
(2,4-dichlorophenyl)-(3-propoxyphenyl)methanone has a molecular weight of 309.19 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 63492692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).