(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone

C18H19ClO2 — CID 104544982

IUPAC(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H19ClO2/c1-18(2,3)15-8-6-5-7-13(15)17(20)14-11-12(19)9-10-16(14)21-4/h5-11H,1-4H3
InChIKeyXVBPSGFIDONORO-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.88
Rot. Bonds3

About (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone

(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 104544982) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
PubChem CID104544982
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H19ClO2/c1-18(2,3)15-8-6-5-7-13(15)17(20)14-11-12(19)9-10-16(14)21-4/h5-11H,1-4H3
InChIKeyXVBPSGFIDONORO-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415
(5-chloro-2-methoxyphenyl)-(2-ethoxyphenyl)methanone
CID 79020316
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
(5-chloro-2-methoxyphenyl)-(2-iodo-3-methylphenyl)methanone
CID 114029899
1-benzothiophen-3-yl-(5-chloro-2-methoxyphenyl)methanone
CID 43161865
5-chloro-2-methoxybenzoate
CID 6933314
(5-chloro-2-methoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43339476
1-(2,5-dichlorophenyl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90363445

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone (CID 104544982) is (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is XVBPSGFIDONORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-18(2,3)15-8-6-5-7-13(15)17(20)14-11-12(19)9-10-16(14)21-4/h5-11H,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone?
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 302.80 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 104544982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).