(2-methylcyclopropyl)-(3-methylphenyl)methanone

C12H14O — CID 65420816

IUPAC(2-methylcyclopropyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CC2C)c1
InChIInChI=1S/C12H14O/c1-8-4-3-5-10(6-8)12(13)11-7-9(11)2/h3-6,9,11H,7H2,1-2H3
InChIKeyFRCBZTSQKMNEDN-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.83
Rot. Bonds2

About (2-methylcyclopropyl)-(3-methylphenyl)methanone

(2-methylcyclopropyl)-(3-methylphenyl)methanone (PubChem CID 65420816) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2-methylcyclopropyl)-(3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-methylcyclopropyl)-(3-methylphenyl)methanone
PubChem CID65420816
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2-methylcyclopropyl)-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)C2CC2C)c1
InChIInChI=1S/C12H14O/c1-8-4-3-5-10(6-8)12(13)11-7-9(11)2/h3-6,9,11H,7H2,1-2H3
InChIKeyFRCBZTSQKMNEDN-UHFFFAOYSA-N
XLogP2.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluorophenyl)-(2-methylcyclopropyl)methanone
CID 65421676
(3,5-dimethylcyclohexyl)-(3-methylphenyl)methanone
CID 64728480
bis(3-methylphenyl)methanone
CID 17848
(3-methylphenyl)-(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171950874
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(3-methylphenyl)methanone
CID 114962656
(2-chloro-5-methylphenyl)-(2-methylcyclopropyl)methanone
CID 130608198
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
3-methylbenzenecarboselenoic Se-acid
CID 166513879
(3-methylphenyl)-(1-methylpiperazin-2-yl)methanone
CID 116919749
3-(3-methylbenzoyl)oxolane-2,4-dione
CID 90932997

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)-(3-methylphenyl)methanone?
The IUPAC name of (2-methylcyclopropyl)-(3-methylphenyl)methanone (CID 65420816) is (2-methylcyclopropyl)-(3-methylphenyl)methanone.
What is the SMILES notation for (2-methylcyclopropyl)-(3-methylphenyl)methanone?
The canonical SMILES for (2-methylcyclopropyl)-(3-methylphenyl)methanone is Cc1cccc(C(=O)C2CC2C)c1.
What is the InChIKey of (2-methylcyclopropyl)-(3-methylphenyl)methanone?
The InChIKey is FRCBZTSQKMNEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-8-4-3-5-10(6-8)12(13)11-7-9(11)2/h3-6,9,11H,7H2,1-2H3.
What are the key properties of (2-methylcyclopropyl)-(3-methylphenyl)methanone?
(2-methylcyclopropyl)-(3-methylphenyl)methanone has a molecular weight of 174.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopropyl)-(3-methylphenyl)methanone is sourced from PubChem (CID 65420816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).