2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate

C19H21ClO6 — CID 161417180

IUPAC2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
SMILESO=C(OCCO)c1ccccc1.O=C(OCCOCCl)c1ccccc1
InChIInChI=1S/C10H11ClO3.C9H10O3/c11-8-13-6-7-14-10(12)9-4-2-1-3-5-9;10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-8H2;1-5,10H,6-7H2
InChIKeyVWFUGHYJOKFCRW-UHFFFAOYSA-N
MW380.82 g/mol
LogP2.89
Rot. Bonds8

About 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate

2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate (PubChem CID 161417180) has the molecular formula C19H21ClO6 and a molecular weight of 380.82 g/mol. Its IUPAC name is 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate.

Molecular Properties

Compound Name2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
PubChem CID161417180
Molecular FormulaC19H21ClO6
Molecular Weight380.82 g/mol
Exact Mass380.10
IUPAC Name2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
SMILESO=C(OCCO)c1ccccc1.O=C(OCCOCCl)c1ccccc1
InChIInChI=1S/C10H11ClO3.C9H10O3/c11-8-13-6-7-14-10(12)9-4-2-1-3-5-9;10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-8H2;1-5,10H,6-7H2
InChIKeyVWFUGHYJOKFCRW-UHFFFAOYSA-N
XLogP2.89
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-(aminomethoxy)ethyl benzoate
CID 89228347
2-hydroxyethyl 4-(2-phenylphenyl)benzoate
CID 139650323
2-benzoyloxyethyl benzoate;ethene
CID 67969171
2-[2-(chloromethyl)phenyl]ethyl benzoate
CID 2794926
2-(2-hydroxyethoxy)ethoxycarbonyl benzoate
CID 174850057
3-[3-(3-hydroxypropoxy)propoxy]propyl benzoate
CID 170190930
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
azane;2-methoxyethyl benzoate
CID 174560204
12-chlorododecyl benzoate
CID 89400525
2-cyanatoethyl benzoate
CID 126625512

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate?
The IUPAC name of 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate (CID 161417180) is 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate.
What is the SMILES notation for 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate?
The canonical SMILES for 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate is O=C(OCCO)c1ccccc1.O=C(OCCOCCl)c1ccccc1.
What is the InChIKey of 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate?
The InChIKey is VWFUGHYJOKFCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3.C9H10O3/c11-8-13-6-7-14-10(12)9-4-2-1-3-5-9;10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-8H2;1-5,10H,6-7H2.
What are the key properties of 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate?
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate has a molecular weight of 380.82 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate is sourced from PubChem (CID 161417180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).