4-benzylcycloheptan-1-one

C14H18O — CID 57223081

IUPAC4-benzylcycloheptan-1-one
SMILESO=C1CCCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H18O/c15-14-8-4-7-13(9-10-14)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyDJFMXKDVEIQZPS-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.38
Rot. Bonds2

About 4-benzylcycloheptan-1-one

4-benzylcycloheptan-1-one (PubChem CID 57223081) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 4-benzylcycloheptan-1-one.

Molecular Properties

Compound Name4-benzylcycloheptan-1-one
PubChem CID57223081
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name4-benzylcycloheptan-1-one
SMILESO=C1CCCC(Cc2ccccc2)CC1
InChIInChI=1S/C14H18O/c15-14-8-4-7-13(9-10-14)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2
InChIKeyDJFMXKDVEIQZPS-UHFFFAOYSA-N
XLogP3.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-benzylcyclodecan-1-one
CID 22319830
cyclopentylmethylbenzene;formamide
CID 174870384
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
4-(2-phenylethyl)cyclohexan-1-one
CID 18980498
butane;cyclopentylmethylbenzene
CID 143522605
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
2-(4-benzylpiperidin-1-yl)cyclopentan-1-one
CID 43794813
6-benzyl-2,3-dihydroxycyclodecan-1-one
CID 22319895
(4S)-4-phenylmethoxycycloheptan-1-one
CID 124560825
1,3-dibenzylcyclooctane
CID 3045388
4-(4-phenylbutyl)cyclohexan-1-one
CID 147953036
cyclopropylmethylbenzene;ethane;methane
CID 142248267

Frequently Asked Questions

What is the IUPAC name of 4-benzylcycloheptan-1-one?
The IUPAC name of 4-benzylcycloheptan-1-one (CID 57223081) is 4-benzylcycloheptan-1-one.
What is the SMILES notation for 4-benzylcycloheptan-1-one?
The canonical SMILES for 4-benzylcycloheptan-1-one is O=C1CCCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylcycloheptan-1-one?
The InChIKey is DJFMXKDVEIQZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c15-14-8-4-7-13(9-10-14)11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 4-benzylcycloheptan-1-one?
4-benzylcycloheptan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylcycloheptan-1-one is sourced from PubChem (CID 57223081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).