[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

C20H23NO4 — CID 175568722

IUPAC[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESCOCCOc1ccccc1-c1ccc2c(c1)CCCC2OC(N)=O
InChIInChI=1S/C20H23NO4/c1-23-11-12-24-18-7-3-2-6-16(18)15-9-10-17-14(13-15)5-4-8-19(17)25-20(21)22/h2-3,6-7,9-10,13,19H,4-5,8,11-12H2,1H3,(H2,21,22)
InChIKeyCSGKKUYOZDCKIJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.85
Rot. Bonds6

About [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (PubChem CID 175568722) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
PubChem CID175568722
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESCOCCOc1ccccc1-c1ccc2c(c1)CCCC2OC(N)=O
InChIInChI=1S/C20H23NO4/c1-23-11-12-24-18-7-3-2-6-16(18)15-9-10-17-14(13-15)5-4-8-19(17)25-20(21)22/h2-3,6-7,9-10,13,19H,4-5,8,11-12H2,1H3,(H2,21,22)
InChIKeyCSGKKUYOZDCKIJ-UHFFFAOYSA-N
XLogP3.85
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The IUPAC name of [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (CID 175568722) is [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.
What is the SMILES notation for [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The canonical SMILES for [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is COCCOc1ccccc1-c1ccc2c(c1)CCCC2OC(N)=O.
What is the InChIKey of [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The InChIKey is CSGKKUYOZDCKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-11-12-24-18-7-3-2-6-16(18)15-9-10-17-14(13-15)5-4-8-19(17)25-20(21)22/h2-3,6-7,9-10,13,19H,4-5,8,11-12H2,1H3,(H2,21,22).
What are the key properties of [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate has a molecular weight of 341.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is sourced from PubChem (CID 175568722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).