[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate

C17H17NO4 — CID 174666755

IUPAC[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
SMILESCOc1cc(C=Cc2ccc(OC(N)=O)cc2)cc(OC)c1
InChIInChI=1S/C17H17NO4/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)22-17(18)19/h3-11H,1-2H3,(H2,18,19)
InChIKeyFLCWIDIMFGQMBN-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.33
Rot. Bonds5

About [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate

[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate (PubChem CID 174666755) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate.

Molecular Properties

Compound Name[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
PubChem CID174666755
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate
SMILESCOc1cc(C=Cc2ccc(OC(N)=O)cc2)cc(OC)c1
InChIInChI=1S/C17H17NO4/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)22-17(18)19/h3-11H,1-2H3,(H2,18,19)
InChIKeyFLCWIDIMFGQMBN-UHFFFAOYSA-N
XLogP3.33
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2-aminoacetate;hydrochloride
CID 46190957
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] N,N-di(propan-2-yl)carbamate
CID 78127654
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91744795
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]benzoic acid
CID 15511507
1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 139077239
[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl] methanesulfonate
CID 46190891
1,3-dimethoxy-5-[2-(4-methylphenyl)ethenyl]benzene
CID 58240360
[4-[2-[3-methoxy-5-(2,2,5-trimethyl-1,3-dioxane-5-carbonyl)oxyphenyl]ethenyl]phenyl] 2,2,5-trimethyl-1,3-dioxane-5-carboxylate
CID 123230166
methane;3-methoxy-5-[(Z)-2-(4-methoxyphenyl)ethenyl]phenol;3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenol
CID 159204290
1-[(E)-2-(4-tert-butylphenyl)ethenyl]-3,5-dimethoxybenzene
CID 102263178

Frequently Asked Questions

What is the IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate?
The IUPAC name of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate (CID 174666755) is [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate.
What is the SMILES notation for [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate?
The canonical SMILES for [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate is COc1cc(C=Cc2ccc(OC(N)=O)cc2)cc(OC)c1.
What is the InChIKey of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate?
The InChIKey is FLCWIDIMFGQMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-20-15-9-13(10-16(11-15)21-2)4-3-12-5-7-14(8-6-12)22-17(18)19/h3-11H,1-2H3,(H2,18,19).
What are the key properties of [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate?
[4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate has a molecular weight of 299.33 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(3,5-dimethoxyphenyl)ethenyl]phenyl] carbamate is sourced from PubChem (CID 174666755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).