(4-methylcyclohexyl)-(3-propoxyphenyl)methanone

C17H24O2 — CID 114975149

IUPAC(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C17H24O2/c1-3-11-19-16-6-4-5-15(12-16)17(18)14-9-7-13(2)8-10-14/h4-6,12-14H,3,7-11H2,1-2H3
InChIKeyLFTMARXMWZNFRG-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.48
Rot. Bonds5

About (4-methylcyclohexyl)-(3-propoxyphenyl)methanone

(4-methylcyclohexyl)-(3-propoxyphenyl)methanone (PubChem CID 114975149) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (4-methylcyclohexyl)-(3-propoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
PubChem CID114975149
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
SMILESCCCOc1cccc(C(=O)C2CCC(C)CC2)c1
InChIInChI=1S/C17H24O2/c1-3-11-19-16-6-4-5-15(12-16)17(18)14-9-7-13(2)8-10-14/h4-6,12-14H,3,7-11H2,1-2H3
InChIKeyLFTMARXMWZNFRG-UHFFFAOYSA-N
XLogP4.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-propoxyphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171940735
(4-methylcyclohexyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63409770
acetyl 3-propoxybenzoate
CID 54339605
3-propoxybenzamide
CID 22311435
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
N-cyclohexyl-3-propoxybenzamide
CID 4960053
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-3-propoxybenzamide
CID 111112837
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(3-propoxyphenyl)methanone
CID 79410069
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
3-[2-[(4-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103233999
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-(3-propoxyphenyl)methanone?
The IUPAC name of (4-methylcyclohexyl)-(3-propoxyphenyl)methanone (CID 114975149) is (4-methylcyclohexyl)-(3-propoxyphenyl)methanone.
What is the SMILES notation for (4-methylcyclohexyl)-(3-propoxyphenyl)methanone?
The canonical SMILES for (4-methylcyclohexyl)-(3-propoxyphenyl)methanone is CCCOc1cccc(C(=O)C2CCC(C)CC2)c1.
What is the InChIKey of (4-methylcyclohexyl)-(3-propoxyphenyl)methanone?
The InChIKey is LFTMARXMWZNFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-3-11-19-16-6-4-5-15(12-16)17(18)14-9-7-13(2)8-10-14/h4-6,12-14H,3,7-11H2,1-2H3.
What are the key properties of (4-methylcyclohexyl)-(3-propoxyphenyl)methanone?
(4-methylcyclohexyl)-(3-propoxyphenyl)methanone has a molecular weight of 260.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-(3-propoxyphenyl)methanone is sourced from PubChem (CID 114975149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).