cyclopropyl-(4-phenylmethoxyphenyl)methanone

C17H16O2 — CID 6482534

IUPACcyclopropyl-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H16O2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2
InChIKeyOWMJPBVELHTRER-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.86
Rot. Bonds5

About cyclopropyl-(4-phenylmethoxyphenyl)methanone

cyclopropyl-(4-phenylmethoxyphenyl)methanone (PubChem CID 6482534) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is cyclopropyl-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(4-phenylmethoxyphenyl)methanone
PubChem CID6482534
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Namecyclopropyl-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)C1CC1
InChIInChI=1S/C17H16O2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2
InChIKeyOWMJPBVELHTRER-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[(4-chlorophenyl)methoxy]phenyl]-cyclopropylmethanone
CID 6482541
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(4-phenylmethoxyphenyl)methanone
CID 171939135
cyclopropyl-(2-methyl-4-phenylmethoxyphenyl)methanone
CID 82553608
4-phenylmethoxybenzoic acid
CID 68896574
(4-phenylmethoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82550160
benzyl 3-(4-phenylmethoxybenzoyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939139
cyclopropyl-[4-[[3-[(3,4-dichlorophenyl)methoxy]phenyl]methoxy]phenyl]methanone
CID 50906466
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
CID 82550709
tert-butyl 3-(4-phenylmethoxybenzoyl)azetidine-1-carboxylate
CID 71014923
4-phenylmethoxybenzoyl fluoride
CID 154719359
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
(4-methoxyphenyl)-[1-(3-phenylmethoxybenzoyl)piperidin-4-yl]methanone
CID 25472791

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(4-phenylmethoxyphenyl)methanone (CID 6482534) is cyclopropyl-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(4-phenylmethoxyphenyl)methanone is O=C(c1ccc(OCc2ccccc2)cc1)C1CC1.
What is the InChIKey of cyclopropyl-(4-phenylmethoxyphenyl)methanone?
The InChIKey is OWMJPBVELHTRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-17(14-6-7-14)15-8-10-16(11-9-15)19-12-13-4-2-1-3-5-13/h1-5,8-11,14H,6-7,12H2.
What are the key properties of cyclopropyl-(4-phenylmethoxyphenyl)methanone?
cyclopropyl-(4-phenylmethoxyphenyl)methanone has a molecular weight of 252.31 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 6482534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).