1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone

C18H19ClO2 — CID 114968366

IUPAC1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H19ClO2/c1-12(2)14-6-4-13(5-7-14)10-17(20)16-9-8-15(19)11-18(16)21-3/h4-9,11-12H,10H2,1-3H3
InChIKeyPGJVVLUMTJVQAQ-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.90
Rot. Bonds5

About 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone

1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone (PubChem CID 114968366) has the molecular formula C18H19ClO2 and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
PubChem CID114968366
Molecular FormulaC18H19ClO2
Molecular Weight302.80 g/mol
Exact Mass302.11
IUPAC Name1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone
SMILESCOc1cc(Cl)ccc1C(=O)Cc1ccc(C(C)C)cc1
InChIInChI=1S/C18H19ClO2/c1-12(2)14-6-4-13(5-7-14)10-17(20)16-9-8-15(19)11-18(16)21-3/h4-9,11-12H,10H2,1-3H3
InChIKeyPGJVVLUMTJVQAQ-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanone
CID 63527693
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-(4-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethanone
CID 55225078
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
1-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)ethanone
CID 61055289
1-(3,5-dichlorophenyl)-2-(4-propan-2-ylphenyl)ethanone
CID 114968359
1-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-phenylethanone
CID 68974432
2-(4-bromo-2-fluorophenyl)-1-(4-chloro-2-methoxyphenyl)ethanone
CID 114968478
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone (CID 114968366) is 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone is COc1cc(Cl)ccc1C(=O)Cc1ccc(C(C)C)cc1.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
The InChIKey is PGJVVLUMTJVQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO2/c1-12(2)14-6-4-13(5-7-14)10-17(20)16-9-8-15(19)11-18(16)21-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone?
1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone has a molecular weight of 302.80 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 114968366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).