[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate

C17H14Cl2O3 — CID 26538853

IUPAC[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OC[C@H]1CC1(Cl)Cl)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H14Cl2O3/c18-17(19)9-14(17)10-22-16(21)13-3-1-11(2-4-13)12-5-7-15(20)8-6-12/h1-8,14,20H,9-10H2/t14-/m1/s1
InChIKeySBXBSGYFNHQABJ-CQSZACIVSA-N
MW337.20 g/mol
LogP4.41
Rot. Bonds4

About [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate

[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate (PubChem CID 26538853) has the molecular formula C17H14Cl2O3 and a molecular weight of 337.20 g/mol. Its IUPAC name is [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate.

Molecular Properties

Compound Name[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate
PubChem CID26538853
Molecular FormulaC17H14Cl2O3
Molecular Weight337.20 g/mol
Exact Mass336.03
IUPAC Name[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate
SMILESO=C(OC[C@H]1CC1(Cl)Cl)c1ccc(-c2ccc(O)cc2)cc1
InChIInChI=1S/C17H14Cl2O3/c18-17(19)9-14(17)10-22-16(21)13-3-1-11(2-4-13)12-5-7-15(20)8-6-12/h1-8,14,20H,9-10H2/t14-/m1/s1
InChIKeySBXBSGYFNHQABJ-CQSZACIVSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
CID 16556463
[2,2-bis(hydroxymethyl)cyclopropyl]methyl benzoate
CID 10823698
2-chlorobutyl 4-(4-hydroxyphenyl)benzoate
CID 139679168
2-(4-chlorophenyl)ethyl 4-(4-hydroxyphenyl)benzoate
CID 22287065
[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 4-hydroxybenzoate
CID 171123599
(3-cyanophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7133515
(3-bromophenyl)methyl 4-(4-hydroxyphenyl)benzoate
CID 7209518
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
[(1R,2R)-2-(benzoyloxymethyl)-2-(hydroxymethyl)cyclopropyl]methyl benzoate
CID 10545102
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2601982
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2601978
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 2645173

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate?
The IUPAC name of [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate (CID 26538853) is [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate.
What is the SMILES notation for [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate?
The canonical SMILES for [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate is O=C(OC[C@H]1CC1(Cl)Cl)c1ccc(-c2ccc(O)cc2)cc1.
What is the InChIKey of [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate?
The InChIKey is SBXBSGYFNHQABJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14Cl2O3/c18-17(19)9-14(17)10-22-16(21)13-3-1-11(2-4-13)12-5-7-15(20)8-6-12/h1-8,14,20H,9-10H2/t14-/m1/s1.
What are the key properties of [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate?
[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate has a molecular weight of 337.20 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate is sourced from PubChem (CID 26538853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).