1-[1-(4-butylphenyl)cyclopropyl]propan-1-one

C16H22O — CID 174432527

IUPAC1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
SMILESCCCCc1ccc(C2(C(=O)CC)CC2)cc1
InChIInChI=1S/C16H22O/c1-3-5-6-13-7-9-14(10-8-13)16(11-12-16)15(17)4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyQBVPOHAPJUIQAX-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.04
Rot. Bonds6

About 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one

1-[1-(4-butylphenyl)cyclopropyl]propan-1-one (PubChem CID 174432527) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one.

Molecular Properties

Compound Name1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
PubChem CID174432527
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name1-[1-(4-butylphenyl)cyclopropyl]propan-1-one
SMILESCCCCc1ccc(C2(C(=O)CC)CC2)cc1
InChIInChI=1S/C16H22O/c1-3-5-6-13-7-9-14(10-8-13)16(11-12-16)15(17)4-2/h7-10H,3-6,11-12H2,1-2H3
InChIKeyQBVPOHAPJUIQAX-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-[1-(4-aminophenyl)cyclopropyl]decan-1-one
CID 116611630
4-butyl-1-(4-propylphenyl)cyclohexane-1-carboxylic acid
CID 56979424
4-butylphenol;propanoic acid
CID 70308169
1-butyl-4-[1-(trifluoromethyl)cyclopropyl]benzene
CID 177015911
3-(4-butylphenyl)-8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-ol
CID 171955409
butylbenzene;carbonic acid
CID 158278492
N-[1-[1-(4-butylphenyl)cyclopropyl]ethenyl]-6-methylpyridin-3-amine
CID 131967916
4-hydroxy-4-(4-pentylphenyl)cyclohexane-1-carboxylic acid
CID 23181686
1-(4-butylphenyl)-2-(1-methoxycyclobutyl)ethanone
CID 103555876
1-(4-butylphenyl)heptan-4-one
CID 83921783
4-butylbenzoic acid;zinc
CID 175174767

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one?
The IUPAC name of 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one (CID 174432527) is 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one.
What is the SMILES notation for 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one?
The canonical SMILES for 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one is CCCCc1ccc(C2(C(=O)CC)CC2)cc1.
What is the InChIKey of 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one?
The InChIKey is QBVPOHAPJUIQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-5-6-13-7-9-14(10-8-13)16(11-12-16)15(17)4-2/h7-10H,3-6,11-12H2,1-2H3.
What are the key properties of 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one?
1-[1-(4-butylphenyl)cyclopropyl]propan-1-one has a molecular weight of 230.35 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butylphenyl)cyclopropyl]propan-1-one is sourced from PubChem (CID 174432527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).