[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate

C19H23NO6 — CID 78236608

IUPAC[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate
SMILESCOc1ccccc1OC1=COC2CC(OC(=O)N(C)C)CCC2C1=O
InChIInChI=1S/C19H23NO6/c1-20(2)19(22)25-12-8-9-13-16(10-12)24-11-17(18(13)21)26-15-7-5-4-6-14(15)23-3/h4-7,11-13,16H,8-10H2,1-3H3
InChIKeyYOZILDRTPISDOJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.75
Rot. Bonds4

About [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate

[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate (PubChem CID 78236608) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate.

Molecular Properties

Compound Name[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate
PubChem CID78236608
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Name[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate
SMILESCOc1ccccc1OC1=COC2CC(OC(=O)N(C)C)CCC2C1=O
InChIInChI=1S/C19H23NO6/c1-20(2)19(22)25-12-8-9-13-16(10-12)24-11-17(18(13)21)26-15-7-5-4-6-14(15)23-3/h4-7,11-13,16H,8-10H2,1-3H3
InChIKeyYOZILDRTPISDOJ-UHFFFAOYSA-N
XLogP2.75
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate with MolForge

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Related Compounds

[3-(2-bromophenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-diethylcarbamate
CID 78213520
[3-(2-chlorophenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 3,5-dimethoxybenzoate
CID 78293264
7-[(2-chloro-4-fluorophenyl)methoxy]-3-(2-methoxyphenoxy)-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78255542
[3-(3,5-dimethylphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 3,4-dimethoxybenzoate
CID 78221899
[3-(2-bromophenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] morpholine-4-carboxylate
CID 78226091
ethyl [4-oxo-3-(4-phenylphenoxy)-4a,5,6,7,8,8a-hexahydrochromen-7-yl] carbonate
CID 78237666
[3-(2-methoxyphenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 4-fluorobenzoate
CID 78236614
[3-(2-chlorophenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] prop-2-enyl carbonate
CID 78237966
3-(4-methoxyphenoxy)-7-phenacyloxy-4a,5,6,7,8,8a-hexahydrochromen-4-one
CID 78226077
[3-(4-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 3-methoxybenzoate
CID 78236563
[3-(2,5-dimethylphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] 2-chlorobenzoate
CID 78237792
[3-(2-methoxyphenyl)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] prop-2-enyl carbonate
CID 78237959

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate?
The IUPAC name of [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate (CID 78236608) is [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate.
What is the SMILES notation for [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate?
The canonical SMILES for [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate is COc1ccccc1OC1=COC2CC(OC(=O)N(C)C)CCC2C1=O.
What is the InChIKey of [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate?
The InChIKey is YOZILDRTPISDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6/c1-20(2)19(22)25-12-8-9-13-16(10-12)24-11-17(18(13)21)26-15-7-5-4-6-14(15)23-3/h4-7,11-13,16H,8-10H2,1-3H3.
What are the key properties of [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate?
[3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate has a molecular weight of 361.39 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenoxy)-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl] N,N-dimethylcarbamate is sourced from PubChem (CID 78236608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).