cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate

C18H23ClO3 — CID 139988314

IUPACcyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate
SMILESO=C(OC1CCCCC1)C1CC1COCc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClO3/c19-15-8-6-13(7-9-15)11-21-12-14-10-17(14)18(20)22-16-4-2-1-3-5-16/h6-9,14,16-17H,1-5,10-12H2
InChIKeyPSGVYBJYRVBCJN-UHFFFAOYSA-N
MW322.83 g/mol
LogP4.37
Rot. Bonds6

About cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate

cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate (PubChem CID 139988314) has the molecular formula C18H23ClO3 and a molecular weight of 322.83 g/mol. Its IUPAC name is cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate
PubChem CID139988314
Molecular FormulaC18H23ClO3
Molecular Weight322.83 g/mol
Exact Mass322.13
IUPAC Namecyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate
SMILESO=C(OC1CCCCC1)C1CC1COCc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClO3/c19-15-8-6-13(7-9-15)11-21-12-14-10-17(14)18(20)22-16-4-2-1-3-5-16/h6-9,14,16-17H,1-5,10-12H2
InChIKeyPSGVYBJYRVBCJN-UHFFFAOYSA-N
XLogP4.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.83
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-tert-butyl (1S,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 163289434
cyclohexyl 2-(4-chlorophenoxy)acetate
CID 836188
1-[(4-chlorophenyl)methoxy]-3-(cyclopentylamino)propan-2-ol
CID 60635580
(2,6-ditert-butyl-4-methylphenyl) 2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 91127978
trans-(1S,3S)-N-[2-[(4-chlorophenyl)methoxy]ethyl]-3-hydroxycyclohexane-1-carboxamide
CID 91774896
cyclooctyl cyclooctanecarboxylate
CID 57160377
cyclohexyl 2-aminocyclohexane-1-carboxylate
CID 64816672
(4-chlorophenyl)methyl 2-(cyclohexanecarbonylamino)acetate
CID 8662028
2-(4-chlorophenyl)-1-cycloheptylethanone
CID 62588703

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate?
The IUPAC name of cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate (CID 139988314) is cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate.
What is the SMILES notation for cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate?
The canonical SMILES for cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate is O=C(OC1CCCCC1)C1CC1COCc1ccc(Cl)cc1.
What is the InChIKey of cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate?
The InChIKey is PSGVYBJYRVBCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO3/c19-15-8-6-13(7-9-15)11-21-12-14-10-17(14)18(20)22-16-4-2-1-3-5-16/h6-9,14,16-17H,1-5,10-12H2.
What are the key properties of cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate?
cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate has a molecular weight of 322.83 g/mol, XLogP of 4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(4-chlorophenyl)methoxymethyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 139988314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).