(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone

C17H15ClO2 — CID 82550709

IUPAC(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
SMILESO=C(c1ccc(OCc2ccccc2)c(Cl)c1)C1CC1
InChIInChI=1S/C17H15ClO2/c18-15-10-14(17(19)13-6-7-13)8-9-16(15)20-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2
InChIKeyRKVINQBQGQCYSS-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.51
Rot. Bonds5

About (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone

(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone (PubChem CID 82550709) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
PubChem CID82550709
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone
SMILESO=C(c1ccc(OCc2ccccc2)c(Cl)c1)C1CC1
InChIInChI=1S/C17H15ClO2/c18-15-10-14(17(19)13-6-7-13)8-9-16(15)20-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2
InChIKeyRKVINQBQGQCYSS-UHFFFAOYSA-N
XLogP4.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-phenylmethoxybenzoic acid;hydrochloride
CID 67898851
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
3-amino-1-(3-chloro-4-phenylmethoxyphenyl)propan-1-one
CID 117468024
3-(3-chloro-4-phenylmethoxyphenyl)-1-cyclopentylpropan-1-one
CID 58762761
3-chloro-N'-hydroxy-4-phenylmethoxybenzenecarboximidamide
CID 76899274
(3-chloro-4-propan-2-yloxyphenyl)-cyclopropylmethanone
CID 82292335
[4-[(2-chlorophenoxy)methyl]phenyl]-phenylmethanone
CID 1265675
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
3-chloro-4-[(3-cyanophenyl)methoxy]benzoic acid
CID 60711872
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone?
The IUPAC name of (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone (CID 82550709) is (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone.
What is the SMILES notation for (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone?
The canonical SMILES for (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone is O=C(c1ccc(OCc2ccccc2)c(Cl)c1)C1CC1.
What is the InChIKey of (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone?
The InChIKey is RKVINQBQGQCYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c18-15-10-14(17(19)13-6-7-13)8-9-16(15)20-11-12-4-2-1-3-5-12/h1-5,8-10,13H,6-7,11H2.
What are the key properties of (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone?
(3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone has a molecular weight of 286.76 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-phenylmethoxyphenyl)-cyclopropylmethanone is sourced from PubChem (CID 82550709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).