cyclohexyl-(3,4-dipropoxyphenyl)methanone

C19H28O3 — CID 82550226

IUPACcyclohexyl-(3,4-dipropoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCCC2)cc1OCCC
InChIInChI=1S/C19H28O3/c1-3-12-21-17-11-10-16(14-18(17)22-13-4-2)19(20)15-8-6-5-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3
InChIKeyAVZIZQJXGZWNKV-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.03
Rot. Bonds8

About cyclohexyl-(3,4-dipropoxyphenyl)methanone

cyclohexyl-(3,4-dipropoxyphenyl)methanone (PubChem CID 82550226) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is cyclohexyl-(3,4-dipropoxyphenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,4-dipropoxyphenyl)methanone
PubChem CID82550226
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Namecyclohexyl-(3,4-dipropoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CCCCC2)cc1OCCC
InChIInChI=1S/C19H28O3/c1-3-12-21-17-11-10-16(14-18(17)22-13-4-2)19(20)15-8-6-5-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3
InChIKeyAVZIZQJXGZWNKV-UHFFFAOYSA-N
XLogP5.03
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-bicyclo[4.1.0]heptanyl-(3-bromo-4-propoxyphenyl)methanone
CID 104657025
cyclohexyl-(2-propoxynaphthalen-1-yl)methanone
CID 82550350
(4-aminocyclohexyl)-(3,4-diethoxyphenyl)methanone
CID 116557438
N-(3,4-dipropoxyphenyl)cyclobutanecarboxamide
CID 78779732
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
(3-amino-4-propoxyphenyl)-(4-butylcyclohexyl)methanone
CID 94759005
2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
CID 83144881
cyclohexyl-[3-(ethylamino)-4-methoxyphenyl]methanone
CID 172702212
[2-(aminomethyl)piperidin-1-yl]-(3,4-dipropoxyphenyl)methanone;hydrochloride
CID 119469137
3-(3-bromo-4-propoxybenzoyl)cyclopentane-1-carboxylic acid
CID 103551813
[1-(3-ethoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473149
N-[5-(cyclohexanecarbonyl)-2-methoxyphenyl]butanamide
CID 110427164

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,4-dipropoxyphenyl)methanone?
The IUPAC name of cyclohexyl-(3,4-dipropoxyphenyl)methanone (CID 82550226) is cyclohexyl-(3,4-dipropoxyphenyl)methanone.
What is the SMILES notation for cyclohexyl-(3,4-dipropoxyphenyl)methanone?
The canonical SMILES for cyclohexyl-(3,4-dipropoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CCCCC2)cc1OCCC.
What is the InChIKey of cyclohexyl-(3,4-dipropoxyphenyl)methanone?
The InChIKey is AVZIZQJXGZWNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-3-12-21-17-11-10-16(14-18(17)22-13-4-2)19(20)15-8-6-5-7-9-15/h10-11,14-15H,3-9,12-13H2,1-2H3.
What are the key properties of cyclohexyl-(3,4-dipropoxyphenyl)methanone?
cyclohexyl-(3,4-dipropoxyphenyl)methanone has a molecular weight of 304.43 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,4-dipropoxyphenyl)methanone is sourced from PubChem (CID 82550226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).