cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone

C17H22O2 — CID 103450498

IUPACcyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2=CCCCCC2)cc1
InChIInChI=1S/C17H22O2/c1-13(2)19-16-11-9-15(10-12-16)17(18)14-7-5-3-4-6-8-14/h7,9-13H,3-6,8H2,1-2H3
InChIKeyIATVDUBPXMTQDO-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.55
Rot. Bonds4

About cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone

cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone (PubChem CID 103450498) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone
PubChem CID103450498
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Namecyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone
SMILESCC(C)Oc1ccc(C(=O)C2=CCCCCC2)cc1
InChIInChI=1S/C17H22O2/c1-13(2)19-16-11-9-15(10-12-16)17(18)14-7-5-3-4-6-8-14/h7,9-13H,3-6,8H2,1-2H3
InChIKeyIATVDUBPXMTQDO-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexen-1-yl-(2-propan-2-yloxyphenyl)methanone
CID 103449936
(4-cyclobutylphenyl)-(cyclohepten-1-yl)methanone
CID 103450541
[(1E)-cycloocten-1-yl]-(3,5-difluorophenyl)methanone
CID 106651781
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 106655875
1,3-benzodioxol-5-yl(cyclohepten-1-yl)methanone
CID 114999931
(4-amino-3-bromophenyl)-(cyclohepten-1-yl)methanone
CID 106655438
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2-amino-1-(cyclohepten-1-yl)propan-1-one
CID 106655132
cycloheptene-1-carboxamide
CID 22261654
(4-propan-2-yloxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43161494
cyclopentyl 4-propan-2-yloxybenzenecarboperoxoate
CID 173265927

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone?
The IUPAC name of cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone (CID 103450498) is cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone.
What is the SMILES notation for cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone?
The canonical SMILES for cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone is CC(C)Oc1ccc(C(=O)C2=CCCCCC2)cc1.
What is the InChIKey of cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone?
The InChIKey is IATVDUBPXMTQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-13(2)19-16-11-9-15(10-12-16)17(18)14-7-5-3-4-6-8-14/h7,9-13H,3-6,8H2,1-2H3.
What are the key properties of cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone?
cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone has a molecular weight of 258.36 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl-(4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 103450498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).