(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone

C17H15ClO2 — CID 115813157

IUPAC(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H15ClO2/c1-11-5-6-13(18)10-16(11)17(19)12-3-2-4-15(9-12)20-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3
InChIKeyFFGXDAQSMSOXDY-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.42
Rot. Bonds4

About (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone

(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone (PubChem CID 115813157) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
PubChem CID115813157
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone
SMILESCc1ccc(Cl)cc1C(=O)c1cccc(OC2CC2)c1
InChIInChI=1S/C17H15ClO2/c1-11-5-6-13(18)10-16(11)17(19)12-3-2-4-15(9-12)20-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3
InChIKeyFFGXDAQSMSOXDY-UHFFFAOYSA-N
XLogP4.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2,5-difluorophenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813318
(3-cyclopropyloxyphenyl)-(2,6-dimethyl-3-pyridinyl)methanone
CID 105134467
(3-cyclopropyloxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115813197
(3-cyclopropyloxyphenyl)-(4-propan-2-ylphenyl)methanone
CID 114521063
(5-chlorofuran-2-yl)-(3-cyclopropyloxyphenyl)methanone
CID 106691334
(3-cyclopropyloxyphenyl)-(6-methyl-3-pyridinyl)methanone
CID 105134421
1-(3-cyclopropyloxyphenyl)propan-1-one
CID 114521082
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
[4-(aminomethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523660
[4-(2-aminoethyl)phenyl]-(3-cyclopropyloxyphenyl)methanone
CID 114523778
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
1-(3-cyclohexyloxyphenyl)ethanone
CID 43208744

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone?
The IUPAC name of (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone (CID 115813157) is (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone is Cc1ccc(Cl)cc1C(=O)c1cccc(OC2CC2)c1.
What is the InChIKey of (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone?
The InChIKey is FFGXDAQSMSOXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-11-5-6-13(18)10-16(11)17(19)12-3-2-4-15(9-12)20-14-7-8-14/h2-6,9-10,14H,7-8H2,1H3.
What are the key properties of (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone?
(5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone has a molecular weight of 286.76 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylphenyl)-(3-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 115813157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).