[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate

C19H28O5 — CID 57088320

IUPAC[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate
SMILESCCOC(OC)Oc1ccc([C@H]2CCCC[C@@H]2OC(=O)CC)cc1
InChIInChI=1S/C19H28O5/c1-4-18(20)24-17-9-7-6-8-16(17)14-10-12-15(13-11-14)23-19(21-3)22-5-2/h10-13,16-17,19H,4-9H2,1-3H3/t16-,17+,19?/m1/s1
InChIKeyTXSNIXCLWODFGF-FQZXCLDYSA-N
MW336.43 g/mol
LogP4.01
Rot. Bonds8

About [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate

[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate (PubChem CID 57088320) has the molecular formula C19H28O5 and a molecular weight of 336.43 g/mol. Its IUPAC name is [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate.

Molecular Properties

Compound Name[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate
PubChem CID57088320
Molecular FormulaC19H28O5
Molecular Weight336.43 g/mol
Exact Mass336.19
IUPAC Name[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate
SMILESCCOC(OC)Oc1ccc([C@H]2CCCC[C@@H]2OC(=O)CC)cc1
InChIInChI=1S/C19H28O5/c1-4-18(20)24-17-9-7-6-8-16(17)14-10-12-15(13-11-14)23-19(21-3)22-5-2/h10-13,16-17,19H,4-9H2,1-3H3/t16-,17+,19?/m1/s1
InChIKeyTXSNIXCLWODFGF-FQZXCLDYSA-N
XLogP4.01
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1R,2S)-2-[4-(oxan-2-yloxy)phenyl]cyclohexyl] propanoate
CID 54097033
[(1R,2S)-2-(4-butan-2-yloxyphenyl)cyclohexyl] dodecanoate
CID 54257065
[(1S,2R)-2-(4-propan-2-yloxyphenyl)cyclohexyl] acetate
CID 57192072
[(1R,2S)-2-(4-ethoxyphenyl)cyclohexyl] dodecanoate
CID 54392313
[(1S,2R)-2-(4-propoxyphenyl)cyclohexyl] hexanoate
CID 57244676
[(1R,2S)-2-(4-butoxyphenyl)cyclohexyl] acetate
CID 15234651
[2-[4-(cyclohexylmethoxy)phenyl]cyclohexyl] hexanoate
CID 139617646
1-bromo-4-[ethoxy(methoxy)methoxy]benzene
CID 54505010
[2-(4-phenylmethoxyphenyl)cyclohexyl] hexanoate
CID 76510080
[2-[4-(cyclohexylmethoxy)phenyl]cyclohexyl] acetate
CID 139617619
1-methoxy-4-[(1S,2R)-2-methoxycyclohexyl]benzene
CID 138979383
1-O-tert-butyl 5-O-[(1R,2S)-2-phenylcyclohexyl] (3R)-3-phenylpentanedioate
CID 101340527

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate?
The IUPAC name of [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate (CID 57088320) is [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate.
What is the SMILES notation for [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate?
The canonical SMILES for [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate is CCOC(OC)Oc1ccc([C@H]2CCCC[C@@H]2OC(=O)CC)cc1.
What is the InChIKey of [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate?
The InChIKey is TXSNIXCLWODFGF-FQZXCLDYSA-N. The full InChI is InChI=1S/C19H28O5/c1-4-18(20)24-17-9-7-6-8-16(17)14-10-12-15(13-11-14)23-19(21-3)22-5-2/h10-13,16-17,19H,4-9H2,1-3H3/t16-,17+,19?/m1/s1.
What are the key properties of [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate?
[(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate has a molecular weight of 336.43 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-[4-[ethoxy(methoxy)methoxy]phenyl]cyclohexyl] propanoate is sourced from PubChem (CID 57088320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).